SCHEMBL29909373

SCHEMBL29909373

CN(c1cccc(C#CC2(O)CCC2)c1)c1nc2nncn2c2cc(Cl)ccc12

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.37
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
POLB P06746 1/20 0.33
NR2F2 P24468 1/20 0.33
MAP3K14 Q99558 3/20 0.32
GRM5 P41594 1/20 0.32
MAT2A P31153 1/20 0.31
HRH4 Q9H3N8 1/20 0.30
CSNK2A2 P19784 1/20 0.30
CSNK2B P67870 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 1/20 0.30
FNTA P49354 1/20 0.30
FNTB P49356 1/20 0.30

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
SCHEMBL23578417 1.00 PTGES (0.37) PTGESNPC1RAB9APOLBNR2F2
SCHEMBL23600999 0.98 PTGES (0.39) PTGESNPC1RAB9APOLBNR2F2
SCHEMBL29909225 0.98 PTGES (0.39) PTGESNPC1RAB9APOLBNR2F2
SCHEMBL29909351 0.97 PTGES (0.38) PTGESNPC1RAB9APOLBNR2F2
SCHEMBL23577502 0.97 PTGES (0.38) PTGESNPC1RAB9APOLBNR2F2
SCHEMBL23576967 0.91 GRM5 (0.33) PTGESMAP3K14GRM5
SCHEMBL29909449 0.90 GRM5 (0.31) PTGESMAP3K14GRM5
SCHEMBL23577431 0.90 GRM5 (0.31) PTGESMAP3K14GRM5
SCHEMBL23577106 0.90 MAP3K14 (0.32) PTGESMAP3K14GRM5
SCHEMBL23601240 0.86 MAT2A (0.31) MAT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4445902-A2 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS Carna Biosciences, Inc. (JP) 2024-10-16 EP disclosed
EP-4081305-B1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS CARNA BIOSCIENCES INC (JP) 2024-09-18 EP disclosed
EP-4081305-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS Carna Biosciences, Inc. (JP) 2022-11-02 EP disclosed