SCHEMBL8701312

SCHEMBL8701312

Cc1cccc(Cc2ccc3[nH]c(=S)oc3c2)c1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 7/20 0.62
KEAP1 Q14145 1/20 0.62
KDM4E B2RXH2 2/20 0.44
GAA P10253 2/20 0.44
ALDH1A1 P00352 1/20 0.44
NOS1 P29475 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
DAO P14920 1/20 0.38
IL4I1 Q96RQ9 1/20 0.37
MAPT P10636 1/20 0.37
LTA4H P09960 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP12 P39900 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36

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
SCHEMBL8701782 0.87 PSMB8 (0.68) PSMB8KEAP1KDM4EGAAALDH1A1
SCHEMBL12716519 0.86 PSMB8 (0.59) PSMB8KEAP1KDM4EGAAALDH1A1
SCHEMBL8700992 0.80 PSMB8 (0.43) PSMB8KEAP1KDM4EGAAALDH1A1
SCHEMBL799525 0.78 PSMB8 (1.00) PSMB8KEAP1KDM4EGAAALDH1A1
SCHEMBL31389040 0.78 PSMB8 (1.00) PSMB8KEAP1KDM4EGAAALDH1A1
SCHEMBL8699552 0.78 PSMB8 (0.68) PSMB8KEAP1KDM4EGAAALDH1A1
SCHEMBL8703483 0.77 ALDH1A1 (0.52) PSMB8KEAP1KDM4EGAAALDH1A1
SCHEMBL12716517 0.73 PSMB8 (0.59) PSMB8KEAP1KDM4EGAAALDH1A1
SCHEMBL8698103 0.72 PSMB8 (0.59) PSMB8KEAP1KDM4EGAAALDH1A1
SCHEMBL8698519 0.72 PSMB8 (0.45) PSMB8KEAP1KDM4EGAAALDH1A1

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