SCHEMBL8698103

SCHEMBL8698103

Cc1cccc(C(=O)c2ccc3[nH]c(=S)oc3c2)c1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 6/20 0.59
KEAP1 Q14145 1/20 0.59
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
POLB P06746 1/20 0.41
NOS1 P29475 1/20 0.41
CREBBP Q92793 1/20 0.41
PARP1 P09874 1/20 0.41
CTSL P07711 1/20 0.40
CTSK P43235 1/20 0.40
CNR2 P34972 2/20 0.40
MAPK13 O15264 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
MAPK14 Q16539 1/20 0.40
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL8697415 0.87 PSMB8 (0.64) PSMB8KEAP1KDM4EALDH1A1GAA
SCHEMBL8697822 0.86 PSMB8 (0.63) PSMB8KEAP1KDM4EALDH1A1GAA
SCHEMBL8697214 0.79 PSMB8 (0.59) PSMB8KEAP1KDM4EALDH1A1GAA
SCHEMBL8697342 0.79 PSMB8 (0.64) PSMB8KEAP1KDM4EALDH1A1GAA
SCHEMBL14553955 0.78 PSMB8 (0.70) PSMB8KEAP1KDM4EALDH1A1GAA
SCHEMBL118689 0.76 PSMB8 (0.68) PSMB8KEAP1KDM4EALDH1A1GAA
SCHEMBL799525 0.76 PSMB8 (1.00) PSMB8KEAP1KDM4EALDH1A1GAA
SCHEMBL31389040 0.76 PSMB8 (1.00) PSMB8KEAP1KDM4EALDH1A1GAA
SCHEMBL8701858 0.75 PSMB8 (0.54) PSMB8KEAP1KDM4EALDH1A1GAA
SCHEMBL1094185 0.74 PSMB8 (1.00) PSMB8KEAP1KDM4EALDH1A1POLB

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