SCHEMBL3468898

SCHEMBL3468898

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

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 7/20 0.52
SCD O00767 3/20 0.48
MAPT P10636 3/20 0.48
LMNA P02545 2/20 0.46
TP53 P04637 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
CHRM4 P08173 1/20 0.44
PPARD Q03181 2/20 0.43
PPARG P37231 2/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL3454082 0.90 SCD (0.50) PPARASCDMAPTLMNATP53
SCHEMBL3454459 0.89 SCD (0.55) PPARASCDMAPTLMNATP53
SCHEMBL3455304 0.89 PPARA (0.56) PPARASCDCHRM4PPARDPPARG
SCHEMBL3454415 0.88 MAOB (0.43) PPARASCDMAPTCHRM4PPARG
SCHEMBL3448039 0.87 SCD (0.44) PPARASCDMAPTLMNACHRM4
SCHEMBL3454066 0.86 PPARA (0.46) PPARASCDMAPTLMNATP53
SCHEMBL3455070 0.86 PPARA (0.43) PPARASCDMAPTLMNATP53
SCHEMBL3455855 0.85 PPARA (0.55) PPARASCDMAPTLMNATP53
SCHEMBL3455839 0.84 HTT (0.46) LMNATP53HTT
SCHEMBL3454081 0.83 SCD (0.50) SCDLMNACHRM4HTTSMN1; SMN2

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