SCHEMBL6975416

SCHEMBL6975416

CCOC(=O)C(C#N)c1snc2ccc([N+](=O)[O-])cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.41
MAPT P10636 8/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
NPBWR1 P48145 1/20 0.41
MCHR1 Q99705 1/20 0.41
LMNA P02545 4/20 0.40
NPSR1 Q6W5P4 2/20 0.40
KMT2A Q03164 6/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
MEN1 O00255 4/20 0.40
GAA P10253 3/20 0.40
KDM4E B2RXH2 2/20 0.39
ELANE P08246 3/20 0.38
F2 P00734 2/20 0.38
PLAU P00749 2/20 0.38
CTRB1 P17538 2/20 0.38
TDP1 Q9NUW8 2/20 0.37
MAPK1 P28482 1/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL6593247 0.81 KMT2A (0.40) ALDH1A1MAPTNPC1RAB9ANPBWR1
SCHEMBL7818905 0.77 MAPT (0.44) ALDH1A1MAPTNPC1RAB9ALMNA
SCHEMBL14222278 0.75 MAPT (0.46) ALDH1A1MAPTNPC1RAB9ANPBWR1
SCHEMBL2815023 0.74 MAPT (0.51) ALDH1A1MAPTNPC1LMNAKMT2A
SCHEMBL20718828 0.73 MAPT (0.43) ALDH1A1MAPTLMNAKMT2ASMN1; SMN2
SCHEMBL29853528 0.73 MAPT (0.43) ALDH1A1MAPTLMNAKMT2ASMN1; SMN2
SCHEMBL7486028 0.73 SMN1; SMN2 (0.41) ALDH1A1MAPTNPC1RAB9ANPBWR1
SCHEMBL4162450 0.72 ALDH1A1 (0.46) ALDH1A1MAPTLMNAKMT2ASMN1; SMN2
SCHEMBL7815141 0.70 TXNRD1 (0.45) ALDH1A1MAPTLMNAKMT2ASMN1; SMN2
SCHEMBL30279925 0.70 ALDH1A1 (0.40) ALDH1A1MAPTNPC1RAB9ANPBWR1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1274708-A1 HERBICIDAL 3-HETEROCYCLIC SUBSTITUTED BENZISOTHIAZOLE AND BENZISOXAZOLE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2003-01-15 EP 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
WO-2001079203-A1 HERBICIDAL 3-HETEROCYCLIC SUBSTITUTED BENZISOTHIAZOLE AND BENZISOXAZOLE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2001-10-25 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-2000049016-A1 PROCESS FOR THE PREPARATION OF 6-(PERFLUOROALKYL)URACIL COMPOUNDS AMERICAN CYANAMID COMPANY (US) 2000-08-24 WO disclosed