SCHEMBL9846117

SCHEMBL9846117

CCCCc1nc(O)c(Cc2ccc(-c3cccc(C#N)c3)cc2)c(CCCC)n1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
APLNR P35414 8/20 0.44
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
MMP12 P39900 1/20 0.39
MMP13 P45452 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
USP7 Q93009 2/20 0.36
AURKA O14965 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36

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
SCHEMBL9846039 0.80 PPARG (0.45) APLNR
SCHEMBL9846061 0.79 AGTR1 (0.35)
SCHEMBL9845994 0.78 CYP19A1 (0.42) APLNRCTSSCTSK
SCHEMBL9846024 0.78 PPARG (0.47) APLNR
SCHEMBL9846092 0.76 PPARG (0.45) APLNR
SCHEMBL9846038 0.73 PPARG (0.41) APLNR
SCHEMBL9846015 0.72 PPARG (0.45) APLNR
SCHEMBL11753901 0.72 TSHR (0.69) CNR1CNR2CTSSCTSKMMP12
SCHEMBL9311025 0.72 PPARG (0.49) APLNR
SCHEMBL14672161 0.70 MMP12 (0.56) CTSSCTSKMMP12MMP13HDAC8

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-0424317-A2 Pyrimidines CIBA-GEIGY AG (CH) 1991-04-24 EP disclosed