SCHEMBL3454004

SCHEMBL3454004

CC(=O)Oc1ccc(C#Cc2nc(C)c(C(=O)NCc3cccc(Cl)c3)s2)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.43
PPARA Q07869 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HCRTR1 O43613 1/20 0.43
CTSV O60911 1/20 0.42
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
CSNK1D P48730 1/20 0.42
MAPT P10636 2/20 0.42
THRB P10828 1/20 0.42
MAOB P27338 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
SCD O00767 2/20 0.40
APEX1 P27695 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL3455202 0.89 PPARA (0.55) PPARDPPARAMAPTTHRBLMNA
SCHEMBL3454860 0.88 MAOB (0.52) MEN1KMT2AHCRTR1CTSVCTSL
SCHEMBL3455283 0.85 PPARA (0.53) PPARDPPARAKMT2AMAPTHPGD
SCHEMBL3454248 0.84 CHRM4 (0.47) KMT2AMAPTMAOBLMNAHPGD
SCHEMBL3455855 0.83 PPARA (0.55) PPARDPPARAMAPTLMNASCD
SCHEMBL3454888 0.80 MEN1 (0.49) MEN1KMT2AMAPTLMNAHPGD
SCHEMBL3447843 0.77 RAB9A (0.48) MEN1KMT2AMAPTLMNAHPGD
SCHEMBL3454456 0.76 PPARA (0.47) PPARDPPARAHPGDSCD
SCHEMBL3454348 0.75 SCD (0.55) SCD
SCHEMBL13541934 0.75 MEN1 (0.53) MEN1KMT2AHCRTR1CTSVCTSL

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