SCHEMBL3454459

SCHEMBL3454459

Cc1nc(C#Cc2ccc(O)cc2)sc1C(=O)NCc1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCD O00767 5/20 0.55
PPARA Q07869 6/20 0.52
MAPT P10636 3/20 0.49
MAOB P27338 1/20 0.47
TP53 P04637 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
CHRM4 P08173 2/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PPARG P37231 1/20 0.43
PPARD Q03181 1/20 0.43

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
SCHEMBL3468898 0.89 PPARA (0.52) SCDPPARAMAPTTP53RXFP1
SCHEMBL3447237 0.89 SCD (0.56) SCDPPARAMAPTTP53LMNA
SCHEMBL3454348 0.89 SCD (0.55) SCD
SCHEMBL3455026 0.88 PPARA (0.55) PPARAMAPTRXFP1CHRM4SMN1; SMN2
SCHEMBL3455855 0.87 PPARA (0.55) SCDPPARAMAPTTP53RXFP1
SCHEMBL3455579 0.85 MAOB (0.46) SCDPPARAMAPTMAOBTP53
SCHEMBL13541868 0.84 PPARA (0.69) SCDPPARAMAPTMAOBPPARG
SCHEMBL3455193 0.84 ATM (0.46) SCDMAOBTP53CHRM4HTT
SCHEMBL3454972 0.83 MAOB (0.44) SCDPPARAMAPTMAOBTP53
SCHEMBL3454764 0.83 SCD (0.44) SCDPPARAMAPTTP53LMNA

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-2010007482-A2 THIAZOLE DERIVATIVES AS STEAROYL COA DESATURASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2010-01-21 WO disclosed