SCHEMBL3454764

SCHEMBL3454764

Cc1nc(C#Cc2ccc(O)cc2)sc1C(=O)NCCOc1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCD O00767 3/20 0.44
RAB9A P51151 4/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
MAPT P10636 4/20 0.43
ALDH1A1 P00352 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
KDM4E B2RXH2 1/20 0.43
PPARA Q07869 1/20 0.42
NPC1 O15118 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HCRTR1 O43613 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
POLB P06746 1/20 0.39
LMNA P02545 2/20 0.39
EGLN1 Q9GZT9 1/20 0.39
TP53 P04637 1/20 0.38

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
SCHEMBL3454603 0.90 RAB9A (0.51) RAB9AMEN1KMT2AMAPTALDH1A1
SCHEMBL3454066 0.89 PPARA (0.46) SCDRAB9AMEN1KMT2AMAPT
SCHEMBL3447237 0.86 SCD (0.56) SCDRAB9AMAPTALDH1A1PPARA
SCHEMBL3454459 0.83 SCD (0.55) SCDMAPTPPARASMN1; SMN2LMNA
SCHEMBL3447843 0.81 RAB9A (0.48) RAB9AMEN1KMT2AMAPTALDH1A1
SCHEMBL3454071 0.80 RAB9A (0.47) SCDRAB9AMEN1KMT2AMAPT
SCHEMBL3455026 0.78 PPARA (0.55) KMT2AMAPTPPARASMN1; SMN2
SCHEMBL3455855 0.77 PPARA (0.55) SCDMAPTPPARAPOLBLMNA
SCHEMBL3454120 0.77 MAPT (0.47) SCDRAB9AMAPTPPARANPC1
SCHEMBL3454346 0.76 ALDH1A1 (0.50) KMT2AALDH1A1NPC1LMNA

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 claimed
WO-2010007482-A2 THIAZOLE DERIVATIVES AS STEAROYL COA DESATURASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2010-01-21 WO disclosed