SCHEMBL3454248

SCHEMBL3454248

CC(=O)Oc1ccc(C#Cc2nc(C)c(C(=O)NCc3ccccc3Cl)s2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.47
KMT2A Q03164 1/20 0.47
LMNA P02545 3/20 0.45
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MAPT P10636 6/20 0.44
TP53 P04637 2/20 0.44
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
PKM P14618 1/20 0.42
TSHR P16473 1/20 0.42
MAPK8 P45983 1/20 0.42
MAOB P27338 1/20 0.40
CACNA1G O43497 1/20 0.40
CACNA1H O95180 1/20 0.40
CACNA1I Q9P0X4 1/20 0.40
NPC1 O15118 1/20 0.40

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
SCHEMBL3446953 0.88 CHRM4 (0.50) CHRM4KMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL3455202 0.85 PPARA (0.55) CHRM4LMNAALDH1A1SMN1; SMN2HTT
SCHEMBL3454888 0.85 MEN1 (0.49) CHRM4KMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL3454004 0.84 PPARD (0.43) KMT2ALMNAHPGDMAPTMAOB
SCHEMBL3455283 0.83 PPARA (0.53) CHRM4KMT2AALDH1A1SMN1; SMN2HPGD
SCHEMBL3455855 0.82 PPARA (0.55) CHRM4LMNAMAPTTP53
SCHEMBL3447843 0.82 RAB9A (0.48) KMT2ALMNAALDH1A1SMN1; SMN2HPGD
SCHEMBL13541873 0.77 LMNA (0.43) KMT2ALMNAHTTTSHRMAOB
SCHEMBL3454456 0.74 PPARA (0.47) SMN1; SMN2HPGDCNR2NPC1RAB9A
SCHEMBL3454756 0.74 LMNA (0.45) CHRM4LMNAALDH1A1SMN1; SMN2TSHR

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