SCHEMBL6585360

SCHEMBL6585360

N#CCc1nsc2ccc([N+](=O)[O-])cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 1/20 0.39
TXNRD3 Q86VQ6 1/20 0.39
TXNRD2 Q9NNW7 1/20 0.39
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
VCAM1 P19320 1/20 0.37
G6PD P11413 1/20 0.36
TLR9 Q9NR96 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 2/20 0.36
PIK3CA P42336 1/20 0.35
PIK3CG P48736 1/20 0.35
MAPT P10636 3/20 0.35
HPGD P15428 2/20 0.35
MIF P14174 1/20 0.35
ALDH1A1 P00352 3/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL6587072 0.78 VCAM1 (0.43) TXNRD1TXNRD3TXNRD2VCAM1G6PD
SCHEMBL17224014 0.78 CYP1A2 (0.48) TXNRD1TXNRD3TXNRD2G6PDTLR9
SCHEMBL6593050 0.77 KDR (0.38) TXNRD1TXNRD3TXNRD2GAAL3MBTL1
Acetonitrile SCHEMBL27574084 0.76 TXNRD1 (0.40) TXNRD1TXNRD3TXNRD2L3MBTL1VCAM1
SCHEMBL7815141 0.75 TXNRD1 (0.45) TXNRD1TXNRD3TXNRD2GAAL3MBTL1
SCHEMBL27545851 0.75 SMN1; SMN2 (0.35) GAASMN1; SMN2POLBMAPTHPGD
SCHEMBL8117700 0.74 POLB (0.41) GAASMN1; SMN2POLBMAPTALDH1A1
SCHEMBL27367126 0.74 KMT2A (0.46) GAASMN1; SMN2POLBMAPTHPGD
SCHEMBL4040996 0.73 SMN1; SMN2 (0.46) TXNRD1TXNRD3TXNRD2L3MBTL1G6PD
SCHEMBL216931 0.73 ALDH1A1 (0.46) TXNRD1TXNRD3TXNRD2GAAG6PD

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 14 patents. 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-1344260-A Process for prepn. of 6-(perfluoroalkyl) uracil compounds from urea compounds 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-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
US-6313295-B1 REACTING CARBAMATE WITH AMINE; CYCLIZATION, ALKYLATION BASF AKTIENGESELLSCHAFT (DE) 2001-11-06 US 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
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