SCHEMBL8698519

SCHEMBL8698519

S=c1[nH]c2ccc(Cc3ccccn3)cc2o1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 6/20 0.45
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
GAA P10253 2/20 0.45
KEAP1 Q14145 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
HSD17B10 Q99714 2/20 0.41
HTT P42858 1/20 0.41
PKM P14618 1/20 0.39
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
IL4I1 Q96RQ9 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
AGTR1 P30556 2/20 0.36
HRH3 Q9Y5N1 2/20 0.36
HRH4 Q9H3N8 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 0.81 PSMB8 (0.59) PSMB8ALDH1A1KDM4EGAAKEAP1
SCHEMBL8699552 0.73 PSMB8 (0.68) PSMB8ALDH1A1KDM4EGAAKEAP1
SCHEMBL8701782 0.73 PSMB8 (0.68) PSMB8ALDH1A1KDM4EGAAKEAP1
SCHEMBL8701312 0.72 PSMB8 (0.62) PSMB8ALDH1A1KDM4EGAAKEAP1
SCHEMBL8698949 0.71 PKM (0.44) ALDH1A1KDM4EGAAL3MBTL1HSD17B10
SCHEMBL8703483 0.69 ALDH1A1 (0.52) PSMB8ALDH1A1KDM4EGAAKEAP1
SCHEMBL15081590 0.69 L3MBTL1 (0.58) ALDH1A1KDM4EL3MBTL1MAPTHRH3
SCHEMBL8701154 0.68 PSMB8 (0.43) PSMB8ALDH1A1KDM4EGAAKEAP1
SCHEMBL8704890 0.68 PSMB8 (0.53) PSMB8ALDH1A1KDM4EGAAKEAP1
SCHEMBL31276017 0.67 L3MBTL1 (0.66) ALDH1A1L3MBTL1HRH3HRH4

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