SCHEMBL23601692

SCHEMBL23601692

Cc1cccc(-c2ccc(C3(C#N)CC3)nc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.39
FFAR4 Q5NUL3 1/20 0.37
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
WNT3A P56704 1/20 0.36
MAP4K4 O95819 1/20 0.36
GAK O14976 1/20 0.36
PGR P06401 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
GRIN2B Q13224 1/20 0.35
NPC1 O15118 2/20 0.35
HPGD P15428 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TSHR P16473 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ENPP3 O14638 1/20 0.35

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
SCHEMBL23601698 0.95 CHRNB4 (0.38) ARCHRNB4CHRNA3WNT3AMAP4K4
SCHEMBL24721009 0.83 RXRA (0.39) FFAR4
SCHEMBL24721520 0.78 RXRA (0.37) FFAR4MAP4K4
SCHEMBL23602035 0.78 OPRM1 (0.46) ARMAP4K4PGRENPP3
SCHEMBL12918279 0.77 OPRM1 (0.40) FFAR4NPC1RAB9AALDH1A1
SCHEMBL23601159 0.74 KDM1A (0.41) CHRNB4CHRNA3WNT3AMAP4K4PGR
SCHEMBL23601688 0.74 NR1H4 (0.33) FFAR4
SCHEMBL13681290 0.73 TNF (0.49) ARMAP4K4NPC1HPGDRAB9A
SCHEMBL18033990 0.71 OPRM1 (0.38) RAB9A
SCHEMBL2757248 0.70 MAP4K4 (0.46) WNT3AMAP4K4RAB9AENPP3IDO1

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