SCHEMBL8698994

SCHEMBL8698994

Cc1ccc(C(O)c2ccc3[nH]c(=S)oc3c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 8/20 0.64
KEAP1 Q14145 1/20 0.64
KDM4E B2RXH2 3/20 0.41
GAA P10253 2/20 0.41
ALDH1A1 P00352 2/20 0.41
NOS1 P29475 1/20 0.41
MLKL Q8NB16 2/20 0.38
CHEK2 O96017 1/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
BRD4 O60885 1/20 0.34
CYP2D6 P10635 1/20 0.32
KCNH2 Q12809 1/20 0.32
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL8697217 0.87 PSMB8 (0.50) PSMB8KEAP1KDM4EGAAALDH1A1
SCHEMBL8701281 0.85 PSMB8 (0.64) PSMB8KEAP1KDM4EGAAALDH1A1
SCHEMBL31389040 0.79 PSMB8 (1.00) PSMB8KEAP1KDM4EGAAALDH1A1
SCHEMBL799525 0.79 PSMB8 (1.00) PSMB8KEAP1KDM4EGAAALDH1A1
SCHEMBL8703017 0.79 PSMB8 (0.46) PSMB8KEAP1KDM4EGAAALDH1A1
SCHEMBL13508871 0.78 PSMB8 (0.61) PSMB8KEAP1KDM4EGAAALDH1A1
SCHEMBL8701154 0.74 PSMB8 (0.43) PSMB8KEAP1KDM4EGAAALDH1A1
SCHEMBL15887349 0.73 PSMB8 (0.52) PSMB8KEAP1KDM4EGAAALDH1A1
SCHEMBL8697415 0.73 PSMB8 (0.64) PSMB8KEAP1KDM4EGAAALDH1A1
SCHEMBL8701782 0.73 PSMB8 (0.68) 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