SCHEMBL3454547

SCHEMBL3454547

Cc1nc(I)sc1C(=O)NCc1ccc(F)cc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCD O00767 5/20 0.57
PPARA Q07869 3/20 0.56
MAPT P10636 4/20 0.54
CHRM4 P08173 1/20 0.52
LMNA P02545 1/20 0.51
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TP53 P04637 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL3454417 0.87 SCD (0.59) SCDPPARAMAPTLMNASMN1; SMN2
SCHEMBL3455092 0.87 PPARD (0.56) SCDPPARAMAPTCHRM4LMNA
SCHEMBL3051532 0.86 SCD (0.64) SCDCHRM4SMN1; SMN2
SCHEMBL13541845 0.86 PPARA (0.60) SCDPPARACHRM4LMNAHTT
SCHEMBL244641 0.85 SCD (0.58) SCDPPARAMAPTCHRM4LMNA
SCHEMBL3042709 0.84 CHRM4 (0.57) SCDPPARAMAPTCHRM4LMNA
SCHEMBL13541865 0.82 PPARA (0.48) SCDPPARAMAPTCHRM4LMNA
SCHEMBL3458722 0.81 ATM (0.53) SCDMAPTCHRM4HTTSMN1; SMN2
SCHEMBL13541868 0.80 PPARA (0.69) SCDPPARAMAPT
SCHEMBL3045493 0.80 SCD (0.62) SCDPPARAMAPTCHRM4LMNA

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