SCHEMBL3455202

SCHEMBL3455202

CC(=O)Oc1ccc(C#Cc2nc(C)c(C(=O)NCc3ccc(Cl)cc3)s2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 8/20 0.55
PPARD Q03181 4/20 0.55
MAPT P10636 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
RXFP1 Q9HBX9 1/20 0.45
CHRM4 P08173 3/20 0.45
PPARG P37231 2/20 0.44
GAA P10253 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
TP53 P04637 2/20 0.43
MDM2 Q00987 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
THRB P10828 1/20 0.41

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
SCHEMBL3455283 0.92 PPARA (0.53) PPARAPPARDMAPTSMN1; SMN2RXFP1
SCHEMBL3455855 0.90 PPARA (0.55) PPARAPPARDMAPTRXFP1CHRM4
SCHEMBL3454004 0.89 PPARD (0.43) PPARAPPARDMAPTLMNATHRB
SCHEMBL3454248 0.85 CHRM4 (0.47) MAPTSMN1; SMN2CHRM4HTTTP53
SCHEMBL3454152 0.84 PPARA (0.51) PPARAPPARDMAPTSMN1; SMN2RXFP1
SCHEMBL3455026 0.82 PPARA (0.55) PPARAPPARDMAPTSMN1; SMN2RXFP1
SCHEMBL3454888 0.82 MEN1 (0.49) MAPTSMN1; SMN2CHRM4MDM2ALDH1A1
SCHEMBL3447843 0.78 RAB9A (0.48) MAPTSMN1; SMN2RXFP1TP53ALDH1A1
SCHEMBL3455122 0.78 PPARA (0.55) PPARAPPARDCHRM4PPARG
SCHEMBL3454456 0.77 PPARA (0.47) PPARAPPARDSMN1; SMN2PPARG

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