SCHEMBL6586971

SCHEMBL6586971

CCOC(=O)C(C)(C)c1nsc2ccc([N+](=O)[O-])cc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
ELANE P08246 3/20 0.40
KMT2A Q03164 4/20 0.40
ALDH1A1 P00352 3/20 0.40
F2 P00734 2/20 0.40
PLAU P00749 2/20 0.40
CTRB1 P17538 2/20 0.40
PKM P14618 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HPGD P15428 1/20 0.39
CCR6 P51684 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
POLB P06746 1/20 0.38
LMNA P02545 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL7458468 0.81 ALDH1A1 (0.37) MAPTELANEKMT2AALDH1A1F2
SCHEMBL7486028 0.80 SMN1; SMN2 (0.41) MAPTELANEKMT2AALDH1A1F2
SCHEMBL6586596 0.77 MAPT (0.44) MAPTELANEKMT2AALDH1A1MEN1
SCHEMBL6589102 0.73 TXNRD1 (0.37) MAPTKMT2AALDH1A1PKMMEN1
SCHEMBL6593247 0.73 KMT2A (0.40) MAPTELANEKMT2AALDH1A1F2
SCHEMBL395369 0.72 ALDH1A1 (0.56) MAPTKMT2AALDH1A1PKMSMN1; SMN2
SCHEMBL5177892 0.72 TDP1 (0.53) MAPTKMT2AALDH1A1MEN1NPC1
SCHEMBL4040996 0.72 SMN1; SMN2 (0.46) MAPTKMT2AALDH1A1PKMMEN1
SCHEMBL31165708 0.72 SMN1; SMN2 (0.46) MAPTKMT2AALDH1A1PKMMEN1
SCHEMBL27367126 0.71 KMT2A (0.46) MAPTELANEKMT2AALDH1A1F2

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 10 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
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-1171427-A1 PROCESS FOR THE PREPARATION OF 6-(PERFLUOROALKYL) URACIL COMPOUNDS FROM UREA COMPOUNDS AMERICAN CYANAMID COMPANY (US) 2002-01-16 EP 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
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-2000049004-A1 PROCESS FOR THE PREPARATION OF 6-(PERFLUOROALKYL) URACIL COMPOUNDS FROM UREA 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