SCHEMBL3454066

SCHEMBL3454066

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.46
LMNA P02545 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 4/20 0.44
PPARD Q03181 3/20 0.42
SCD O00767 2/20 0.41
TP53 P04637 3/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PPARG P37231 1/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
FFAR1 O14842 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HCAR2 Q8TDS4 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
SCHEMBL3454082 0.89 SCD (0.50) PPARALMNASMN1; SMN2MAPTSCD
SCHEMBL3454764 0.89 SCD (0.44) PPARALMNASMN1; SMN2MAPTSCD
SCHEMBL3468898 0.86 PPARA (0.52) PPARALMNASMN1; SMN2MAPTPPARD
SCHEMBL3454603 0.81 RAB9A (0.51) SMN1; SMN2MAPTMEN1KMT2ARAB9A
SCHEMBL3447843 0.80 RAB9A (0.48) LMNASMN1; SMN2MAPTTP53MEN1
SCHEMBL3454415 0.80 MAOB (0.43) PPARAMAPTSCDPPARG
SCHEMBL3455839 0.79 HTT (0.46) LMNATP53NPC1FFAR1ALDH1A1
SCHEMBL3447237 0.79 SCD (0.56) PPARALMNASMN1; SMN2MAPTSCD
SCHEMBL3455855 0.78 PPARA (0.55) PPARALMNAMAPTPPARDSCD
SCHEMBL3448039 0.78 SCD (0.44) PPARALMNAMAPTPPARDSCD

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