SCHEMBL18436227

SCHEMBL18436227

CC1CN(c2ccc(NC(=O)c3cnc4c(-c5ccc(C#N)cc5)cccc4c3C3CC3)cn2)CC(C)N1C

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FASN P49327 4/20 0.44
PPARG P37231 2/20 0.43
SMO Q99835 2/20 0.43
PGR P06401 1/20 0.43
GPR183 P32249 1/20 0.43
WDR5 P61964 1/20 0.38
IRAK4 Q9NWZ3 3/20 0.37
EGLN1 Q9GZT9 4/20 0.37
HRH4 Q9H3N8 1/20 0.37
EP300 Q09472 1/20 0.37
KCNH2 Q12809 1/20 0.37
MCHR1 Q99705 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL17128002 0.91 SMO (0.53) FASNPPARGSMOPGRGPR183
SCHEMBL21336678 0.91 SMO (0.53) FASNPPARGSMOPGRGPR183
SCHEMBL18436226 0.91 FASN (0.42) FASNPPARGSMOPGRGPR183
SCHEMBL21336718 0.91 FASN (0.42) FASNPPARGSMOPGRGPR183
SCHEMBL18436696 0.91 FASN (0.42) FASNPPARGSMOPGRGPR183
SCHEMBL17128371 0.91 FASN (0.42) FASNPPARGSMOPGRGPR183
SCHEMBL18436939 0.79 SMO (0.42) FASNPPARGSMOPGRGPR183
SCHEMBL17127016 0.79 SMO (0.42) FASNPPARGSMOPGRGPR183
SCHEMBL21336886 0.79 SMO (0.55) FASNPPARGSMOPGRGPR183
SCHEMBL17128029 0.79 SMO (0.55) FASNPPARGSMOPGRGPR183

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
EP-3124482-A1 QUINOLINE DERIVATIVES AS SMO INHIBITORS GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2017-02-01 EP disclosed