SCHEMBL23601698

SCHEMBL23601698

Cc1cccc(-c2ccc(C3(C#N)CCC3)nc2)c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
FGFR1 P11362 9/20 0.37
FGFR4 P22455 9/20 0.37
AR P10275 1/20 0.37
FGFR3 P22607 5/20 0.37
FGFR2 P21802 4/20 0.37
MAP3K12 Q12852 1/20 0.36
MAP4K4 O95819 2/20 0.36
WNT3A P56704 1/20 0.35
GAK O14976 1/20 0.34
ALOX5AP P20292 1/20 0.34

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
SCHEMBL23601692 0.95 AR (0.39) CHRNB4CHRNA3ARMAP4K4WNT3A
SCHEMBL24721520 0.84 RXRA (0.37) FGFR1FGFR4FGFR3FGFR2MAP3K12
SCHEMBL18033990 0.78 OPRM1 (0.38) FGFR1FGFR4FGFR3FGFR2MAP3K12
SCHEMBL24721009 0.78 RXRA (0.39) FGFR1FGFR4
SCHEMBL876202 0.76 MAP3K12 (0.50) FGFR1FGFR4FGFR3FGFR2MAP3K12
SCHEMBL23602035 0.73 OPRM1 (0.46) ARMAP4K4
SCHEMBL23601159 0.72 KDM1A (0.41) CHRNB4CHRNA3MAP4K4WNT3A
SCHEMBL12918279 0.72 OPRM1 (0.40)
SCHEMBL13805993 0.71 UHRF1 (0.38) MAP3K12
SCHEMBL13681290 0.71 TNF (0.49) ARMAP4K4

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-2021130638-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS CARNA BIOSCIENCES, INC. (JP) 2021-07-01 WO disclosed