SCHEMBL29909225

SCHEMBL29909225

CN(c1cccc(C#CC2(O)CCCC2)c1)c1nc2nncn2c2cc(Cl)ccc12

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.39
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
POLB P06746 1/20 0.34
NR2F2 P24468 1/20 0.34
MAT2A P31153 5/20 0.33
MAP3K14 Q99558 4/20 0.32
GRM5 P41594 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
PRMT5 O14744 2/20 0.31
CYP1A2 P05177 1/20 0.31
PAK4 O96013 1/20 0.31
HRH4 Q9H3N8 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
SCHEMBL23600999 1.00 PTGES (0.39) PTGESNPC1RAB9APOLBNR2F2
SCHEMBL23577502 0.99 PTGES (0.38) PTGESNPC1RAB9APOLBNR2F2
SCHEMBL29909351 0.99 PTGES (0.38) PTGESNPC1RAB9APOLBNR2F2
SCHEMBL29909373 0.98 PTGES (0.37) PTGESNPC1RAB9APOLBNR2F2
SCHEMBL23578417 0.98 PTGES (0.37) 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) MAT2APRMT5CYP1A2

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-4081305-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS Carna Biosciences, Inc. (JP) 2022-11-02 EP disclosed