SCHEMBL8701782

SCHEMBL8701782

Cc1ccc(Cc2ccc3[nH]c(=S)oc3c2)cc1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 7/20 0.68
KEAP1 Q14145 1/20 0.68
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 3/20 0.43
GAA P10253 2/20 0.43
NOS1 P29475 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HTT P42858 1/20 0.40
IL4I1 Q96RQ9 1/20 0.36
MAPT P10636 3/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
GPR84 Q9NQS5 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
SCHEMBL12716519 0.90 PSMB8 (0.59) PSMB8KEAP1KDM4EALDH1A1GAA
SCHEMBL8701312 0.87 PSMB8 (0.62) PSMB8KEAP1KDM4EALDH1A1GAA
SCHEMBL8699552 0.84 PSMB8 (0.68) PSMB8KEAP1KDM4EALDH1A1GAA
SCHEMBL8703483 0.84 ALDH1A1 (0.52) PSMB8KEAP1KDM4EALDH1A1GAA
SCHEMBL31389040 0.81 PSMB8 (1.00) PSMB8KEAP1KDM4EALDH1A1GAA
SCHEMBL799525 0.81 PSMB8 (1.00) PSMB8KEAP1KDM4EALDH1A1GAA
SCHEMBL12716517 0.76 PSMB8 (0.59) PSMB8KEAP1KDM4EALDH1A1GAA
SCHEMBL8700992 0.75 PSMB8 (0.43) PSMB8KEAP1KDM4EALDH1A1GAA
SCHEMBL9660960 0.73 MEN1 (0.79) PSMB8KDM4EALDH1A1MEN1KMT2A
SCHEMBL8697415 0.73 PSMB8 (0.64) PSMB8KEAP1KDM4EALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998025913-A1 NOVEL SUBSTITUTED 3H -BENZOXAZOLE-2-THIONES AND 3H -BENZOTHIAZOLE-2 THIONES DERIVATIVES, METHOD FOR PREPARING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ADIR ET COMPAGNIE (FR) 1998-06-18 WO disclosed