SCHEMBL3455579

SCHEMBL3455579

O=C(NCc1ccc(F)cc1)c1sc(C#Cc2ccc(O)cc2)nc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.46
PPARA Q07869 3/20 0.42
PPARG P37231 1/20 0.42
PPARD Q03181 1/20 0.42
SCD O00767 1/20 0.42
GLA P06280 1/20 0.41
MAPT P10636 4/20 0.41
CHRM4 P08173 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
CNR2 P34972 1/20 0.38
TP53 P04637 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
MTOR P42345 1/20 0.37

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
SCHEMBL13541888 0.92 PPARA (0.51) MAOBPPARAPPARGPPARDCHRM4
SCHEMBL3455070 0.90 PPARA (0.43) MAOBPPARAPPARGPPARDSCD
SCHEMBL13541771 0.89 PPARA (0.49) MAOBPPARAPPARGPPARDMAPT
SCHEMBL3454459 0.85 SCD (0.55) MAOBPPARAPPARGPPARDSCD
SCHEMBL3446545 0.82 FFAR1 (0.46) PPARAPPARGPPARDSCDCHRM4
SCHEMBL3454972 0.82 MAOB (0.44) MAOBPPARASCDMAPTCHRM4
SCHEMBL3455792 0.80 TAAR1 (0.48) MAOBMAPTLMNA
SCHEMBL3447256 0.79 PPARD (0.49) PPARAPPARGPPARDMAPTCHRM4
SCHEMBL13541887 0.79 MLYCD (0.43) MAOBMAPTL3MBTL1CYP1A2CYP2C9
SCHEMBL3455122 0.79 PPARA (0.55) PPARAPPARGPPARDCHRM4

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