SCHEMBL6589360

SCHEMBL6589360

O=[N+]([O-])c1ccc2snc(O)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 1/20 0.49
TXNRD3 Q86VQ6 1/20 0.49
TXNRD2 Q9NNW7 1/20 0.49
ALDH1A1 P00352 4/20 0.43
TSHR P16473 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
GPR35 Q9HC97 2/20 0.43
HPGD P15428 2/20 0.43
TP53 P04637 1/20 0.43
MAPK1 P28482 1/20 0.43
S100A4 P26447 1/20 0.43
GAA P10253 1/20 0.42
THRB P10828 1/20 0.42
G6PD P11413 1/20 0.41
TLR9 Q9NR96 1/20 0.41
ALOX15 P16050 1/20 0.41
POLB P06746 2/20 0.40
MEN1 O00255 1/20 0.40
PKM P14618 1/20 0.40
NPY1R P25929 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31165708 0.80 SMN1; SMN2 (0.46) TXNRD1TXNRD3TXNRD2ALDH1A1TSHR
SCHEMBL4040996 0.80 SMN1; SMN2 (0.46) TXNRD1TXNRD3TXNRD2ALDH1A1TSHR
SCHEMBL5802273 0.80 ALDH1A1 (0.46) TXNRD1TXNRD3TXNRD2ALDH1A1TSHR
SCHEMBL216931 0.80 ALDH1A1 (0.46) TXNRD1TXNRD3TXNRD2ALDH1A1TSHR
SCHEMBL2978051 0.80 HSD17B10 (0.46) TXNRD1TXNRD3TXNRD2ALDH1A1TSHR
SCHEMBL6770996 0.80 ALDH1A1 (0.47) TXNRD1TXNRD3TXNRD2ALDH1A1SMN1; SMN2
SCHEMBL6770639 0.78 ALDH1A1 (0.44) TXNRD1TXNRD3TXNRD2ALDH1A1TSHR
Hydrochloric Acid SCHEMBL6770644 0.78 ALDH1A1 (0.46) TXNRD1TXNRD3TXNRD2ALDH1A1SMN1; SMN2
SCHEMBL6587072 0.76 VCAM1 (0.43) TXNRD1TXNRD3TXNRD2ALDH1A1TSHR
SCHEMBL12868738 0.76 TXNRD1 (0.41) TXNRD1TXNRD3TXNRD2ALDH1A1TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1150962-B1 PROCESS FOR THE PREPARATION OF 6-(PERFLUOROALKYL)URACIL COMPOUNDS FROM CARBAMATE COMPOUNDS AMERICAN CYANAMID CO (US) 2004-04-28 EP disclosed
EP-0908457-B1 3-(1,2-benzisothiazol- and isoxazol-5-Y1)-2,4(1H,3H)-pyrimidinedione or thione and 3-(1,2-benzisothiazol- and isoxazol-5-y1)-4(3H)-pyrimidinone or thione herbicidal agents BASF AG (DE) 2002-11-13 EP disclosed
CN-1344259-A Process for the preparation of 1, 3-oxazin-6-ones and uracils and intermediates BASF AG (DE) 2002-04-10 CN disclosed
CN-1344258-A Process for producing 6- (perfluoroalkyl) uracil compound from carbamate compound BASF AG (DE) 2002-04-10 CN disclosed
CN-1344260-A Process for prepn. of 6-(perfluoroalkyl) uracil compounds from urea compounds BASF AG (DE) 2002-04-10 CN disclosed
CN-1342159-A Process for preparing 6- (perfluoroalkyl) uracil compounds BASF AG (DE) 2002-03-27 CN disclosed
US-6355796-B1 REACTING BETA-AMINO-BETA-(PERFLUOROALKYL)ACRYLATE COMPOUND WITH BASE AND CARBAMOYL CHLORIDE COMPOUND TO FORM UREA COMPOUND, REACTING UREA COMPOUND WITH PHOSPHORUS PENTAHALIDE OR OXALYL HALIDE BASF AKTIENGESELLSCHAFT (DE) 2002-03-12 US disclosed
EP-1177193-A1 PROCESS FOR THE PREPARATION OF 6-(PERFLUOROALKYL)URACIL COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2002-02-06 EP disclosed
EP-1171427-A1 PROCESS FOR THE PREPARATION OF 6-(PERFLUOROALKYL) URACIL COMPOUNDS FROM UREA COMPOUNDS AMERICAN CYANAMID COMPANY (US) 2002-01-16 EP disclosed
EP-1169308-A1 PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF 1,3-OXAZIN-6-ONES AND URACILS BASF AKTIENGESELLSCHAFT (DE) 2002-01-09 EP disclosed
US-6191275-B1 REACTING ETHYL 3-((N,N-DIMETHYLCARBAMOYL)AMINO)-4,4,4-TRIFLUOROCROTONATE, FOR EXAMPLE WITH AMINO COMPOUNDS IN ACID OR BASE TO FORM HERBICIDES OF FORMULA 1-(OPTIONALLY ALKYL), 3-(SUBSTITUTED),6-(PERFLUOROALKYL)-1H,4H-PYRIMIDINE-2,4-DIONE AMERICAN CYANAMID COMPANY 2001-02-20 US disclosed
US-6156700-A 3-(1,2-Benzisothiazol- and isoxazol-5-yl)-2,4(1H,3H)-pyrimidinedione or thione and 3-(1,2-benzisothiazol- and isoxazol-5-yl)-4(3H)-pyrimidinone or thione herbicidal agents AMERICAN CYANMID COMPANY (US) 2000-12-05 US disclosed
CN-1273585-A Substituted 3- (1, 2-benzisothiazole or isoxazol-5-yl) -substituted pyrimidines as herbicides AMERICAN CYANAMID CO (US) 2000-11-15 CN disclosed
US-6140270-A BY REACTING THEM WITH AN AMINE COMPOUND AND AN ACID OR BASE; HERBICIDES AMERICAN CYANAMID COMPANY 2000-10-31 US disclosed
WO-2000049002-A1 PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF 1,3-OXAZIN-6-ONES AND URACILS AMERICAN CYANAMID COMPANY (US) 2000-08-24 WO disclosed
WO-2000049004-A1 PROCESS FOR THE PREPARATION OF 6-(PERFLUOROALKYL) URACIL COMPOUNDS FROM UREA COMPOUNDS AMERICAN CYANAMID COMPANY (US) 2000-08-24 WO disclosed
WO-2000049003-A1 PROCESS FOR THE PREPARATION OF 6-(PERFLUOROALKYL)URACIL COMPOUNDS FROM CARBAMATE COMPOUNDS AMERICAN CYANAMID COMPANY (US) 2000-08-24 WO disclosed
WO-2000049016-A1 PROCESS FOR THE PREPARATION OF 6-(PERFLUOROALKYL)URACIL COMPOUNDS AMERICAN CYANAMID COMPANY (US) 2000-08-24 WO disclosed
EP-0908457-A1 3-(1,2-benzisothiazol- and isoxazol-5-Y1)-2,4(1H,3H)-pyrimidinedione or thione and 3-(1,2-benzisothiazol- and isoxazol-5-y1)-4(3H)-pyrimidinone or thione herbicidal agents American Cyanamid Company (US) 1999-04-14 EP disclosed
WO-1999014216-A1 SUBSTITUTED 3(-1,2-BENZISOTHIAZOL OR ISOXAZOL-5 YL)-SUBSTITUTED PYRIMIDINE AS HERBICIDES AMERICAN CYANAMID COMPANY (US) 1999-03-25 WO disclosed