SCHEMBL8699552

SCHEMBL8699552

S=c1[nH]c2ccc(Cc3ccc(Cl)cc3)cc2o1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 8/20 0.68
KEAP1 Q14145 1/20 0.50
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
GAA P10253 2/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 3/20 0.38
POLB P06746 2/20 0.38
PRNP P04156 1/20 0.38
IL4I1 Q96RQ9 1/20 0.36
GPR84 Q9NQS5 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
HAVCR2 Q8TDQ0 1/20 0.36
HSD17B10 Q99714 1/20 0.36
APOBEC3G Q9HC16 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
SCHEMBL12716519 0.90 PSMB8 (0.59) PSMB8KEAP1ALDH1A1KDM4EGAA
SCHEMBL8701782 0.84 PSMB8 (0.68) PSMB8KEAP1ALDH1A1KDM4EGAA
SCHEMBL779231 0.81 PSMB8 (1.00) PSMB8KEAP1ALDH1A1KDM4EGAA
SCHEMBL8703483 0.81 ALDH1A1 (0.52) PSMB8KEAP1ALDH1A1KDM4EGAA
SCHEMBL8701312 0.78 PSMB8 (0.62) PSMB8KEAP1ALDH1A1KDM4EGAA
SCHEMBL8700992 0.75 PSMB8 (0.43) PSMB8KEAP1ALDH1A1KDM4EGAA
SCHEMBL9367728 0.73 MEN1 (0.79) PSMB8ALDH1A1KDM4EMEN1KMT2A
SCHEMBL8701281 0.73 PSMB8 (0.64) PSMB8KEAP1ALDH1A1KDM4EGAA
SCHEMBL8698519 0.73 PSMB8 (0.45) PSMB8KEAP1ALDH1A1KDM4EGAA
SCHEMBL777690 0.71 PSMB8 (1.00) PSMB8KEAP1ALDH1A1KDM4EGAA

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