SCHEMBL8699694

SCHEMBL8699694

Cc1cc2[nH]c(=S)oc2cc1C(=O)c1cccs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.43
ALDH1A1 P00352 5/20 0.43
ALOX15 P16050 3/20 0.43
PSMD14 O00487 1/20 0.43
MMP2 P08253 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HPGD P15428 4/20 0.43
CASP3 P42574 2/20 0.43
SENP7 Q9BQF6 2/20 0.43
SENP6 Q9GZR1 2/20 0.43
PSMB8 P28062 3/20 0.42
NPC1 O15118 6/20 0.40
RAB9A P51151 5/20 0.40
KMT2A Q03164 5/20 0.40
MEN1 O00255 3/20 0.40
KDM4E B2RXH2 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPK1 P28482 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
KEAP1 Q14145 1/20 0.40

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
SCHEMBL8702841 0.80 PSMB8 (0.51) MAPTALDH1A1HPGDPSMB8NPC1
SCHEMBL11535872 0.72 NPC1 (0.53) MAPTALDH1A1ALOX15PSMD14MMP2
SCHEMBL8274520 0.69 MAPT (0.52) MAPTALDH1A1ALOX15PSMD14MMP2
SCHEMBL19475890 0.68 ALDH1A1 (0.51) MAPTALDH1A1ALOX15PSMD14MMP2
SCHEMBL11701100 0.66 ALDH1A1 (0.52) MAPTALDH1A1ALOX15PSMD14MMP2
SCHEMBL11701110 0.66 ALDH1A1 (0.52) MAPTALDH1A1ALOX15PSMD14MMP2
SCHEMBL10174797 0.66 CTNNB1 (0.66) MAPTALDH1A1ALOX15PSMD14MMP2
SCHEMBL11006494 0.66 ALDH1A1 (0.46) MAPTALDH1A1ALOX15PSMD14MMP2
SCHEMBL11243754 0.65 PLA2G1B (0.49) MAPTALDH1A1ALOX15PSMD14MMP2
SCHEMBL256810 0.64 ALOX15 (0.57) MAPTALDH1A1ALOX15PSMD14MMP2

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