SCHEMBL3454081

SCHEMBL3454081

Cc1nc(C#Cc2ccc(CC(=O)O)cc2)sc1C(=O)NCc1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 5/20 0.50
HPGD P15428 3/20 0.47
CHRM4 P08173 1/20 0.47
POLB P06746 2/20 0.46
TSHR P16473 1/20 0.46
ACACB O00763 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
LMNA P02545 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
HSD17B10 Q99714 1/20 0.45
FFAR1 O14842 1/20 0.44
MAPK14 Q16539 1/20 0.43
L3MBTL1 Q9Y468 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
SCHEMBL3454888 0.83 MEN1 (0.49) SCDHPGDCHRM4POLBTSHR
SCHEMBL3468898 0.83 PPARA (0.52) SCDCHRM4SMN1; SMN2LMNAKMT2A
SCHEMBL3448039 0.82 SCD (0.44) SCDHPGDCHRM4LMNAMEN1
SCHEMBL3455304 0.80 PPARA (0.56) SCDCHRM4ALDH1A1NPC1
SCHEMBL3454756 0.78 LMNA (0.45) SCDCHRM4TSHRSMN1; SMN2LMNA
SCHEMBL3454415 0.78 MAOB (0.43) SCDCHRM4
SCHEMBL3454348 0.78 SCD (0.55) SCD
SCHEMBL3454082 0.77 SCD (0.50) SCDSMN1; SMN2LMNAALDH1A1NPC1
SCHEMBL3454066 0.76 PPARA (0.46) SCDSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL28901223 0.75 POLB (0.72) HPGDPOLBSMN1; SMN2LMNAMEN1

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