SCHEMBL8701154

SCHEMBL8701154

OC(c1ccc2[nH]c(=S)oc2c1)c1ccccn1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 7/20 0.43
KDM4E B2RXH2 3/20 0.43
GAA P10253 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KEAP1 Q14145 1/20 0.42
MAPT P10636 2/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PKM P14618 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
BRD4 O60885 1/20 0.37
TDP1 Q9NUW8 1/20 0.34
KAT7 O95251 1/20 0.34
KAT6A Q92794 1/20 0.34
NQO1 P15559 1/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33

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 0.81 PSMB8 (0.50) PSMB8KDM4EGAAALDH1A1KEAP1
SCHEMBL8698930 0.79 PSMB8 (0.43) PSMB8KDM4EGAAALDH1A1KEAP1
SCHEMBL8701281 0.74 PSMB8 (0.64) PSMB8KDM4EGAAALDH1A1KEAP1
SCHEMBL8698994 0.74 PSMB8 (0.64) PSMB8KDM4EGAAALDH1A1KEAP1
SCHEMBL8698563 0.72 BRD4 (0.38) KDM4EALDH1A1MAPTHTTPKM
SCHEMBL8703017 0.71 PSMB8 (0.46) PSMB8KDM4EGAAALDH1A1KEAP1
SCHEMBL13508871 0.70 PSMB8 (0.61) PSMB8KDM4EGAAALDH1A1KEAP1
SCHEMBL8704890 0.69 PSMB8 (0.53) PSMB8KDM4EGAAALDH1A1KEAP1
SCHEMBL15709920 0.69 AHR (0.54) KDM4EALDH1A1MAPTBRD4TDP1
SCHEMBL8698519 0.68 PSMB8 (0.45) PSMB8KDM4EGAAALDH1A1KEAP1

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