SCHEMBL3454082

SCHEMBL3454082

Cc1nc(C#Cc2ccc(CC(=O)O)cc2)sc1C(=O)NCCc1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.50
USP28 Q96RU2 2/20 0.49
USP25 Q9UHP3 2/20 0.49
TP53 P04637 4/20 0.48
LMNA P02545 3/20 0.47
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
THRB P10828 1/20 0.45
FFAR1 O14842 1/20 0.44
MAPT P10636 6/20 0.44
PPARA Q07869 2/20 0.44

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
SCHEMBL3447237 0.90 SCD (0.56) SCDTP53LMNANPC1ALDH1A1
SCHEMBL3468898 0.90 PPARA (0.52) SCDTP53LMNASMN1; SMN2MAPT
SCHEMBL3454066 0.89 PPARA (0.46) SCDTP53LMNANPC1ALDH1A1
SCHEMBL3454415 0.83 MAOB (0.43) SCDMAPTPPARA
SCHEMBL3455839 0.82 HTT (0.46) TP53LMNANPC1ALDH1A1FFAR1
SCHEMBL3454120 0.81 MAPT (0.47) SCDNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL3448039 0.81 SCD (0.44) SCDLMNANPC1FFAR1MAPT
SCHEMBL3454459 0.79 SCD (0.55) SCDTP53LMNASMN1; SMN2MAPT
SCHEMBL3455304 0.79 PPARA (0.56) SCDNPC1ALDH1A1PPARA
SCHEMBL3454081 0.77 SCD (0.50) SCDLMNANPC1ALDH1A1RAB9A

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