SCHEMBL8700992

SCHEMBL8700992

FC(F)(F)c1cccc(Cc2ccc3[nH]c(=S)oc3c2)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 4/20 0.43
KEAP1 Q14145 1/20 0.43
DAO P14920 2/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
LTA4H P09960 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
MIF P14174 2/20 0.40
IDO1 P14902 2/20 0.39
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
SNCA P37840 1/20 0.38

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 0.83 PSMB8 (0.59) PSMB8KEAP1KDM4EALDH1A1GAA
SCHEMBL26382710 0.80 PSMB8 (0.56) PSMB8KEAP1KDM4EALDH1A1GAA
SCHEMBL8701312 0.80 PSMB8 (0.62) PSMB8KEAP1DAOKDM4EALDH1A1
SCHEMBL8701782 0.75 PSMB8 (0.68) PSMB8KEAP1KDM4EALDH1A1GAA
SCHEMBL8699552 0.75 PSMB8 (0.68) PSMB8KEAP1KDM4EALDH1A1GAA
SCHEMBL3237564 0.74 TAAR1 (0.64) DAOMAOBKDM4EALDH1A1GAA
SCHEMBL27434246 0.73 TAAR1 (0.47) DAOMAOBKDM4EALDH1A1GAA
SCHEMBL8703483 0.71 ALDH1A1 (0.52) PSMB8KEAP1KDM4EALDH1A1GAA
SCHEMBL15727620 0.70 PSMB8 (0.56) PSMB8KEAP1KDM4EALDH1A1GAA
SCHEMBL9885484 0.70 IDO1 (0.54) DAOMAOBLTA4HTAAR1MIF

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