SCHEMBL29909012

SCHEMBL29909012

CN(c1cncc(-c2ccc(OCC(F)(F)F)nc2)n1)c1nc2nnc(Cl)n2c2ccc(F)cc12

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.39
CYP1A2 P05177 1/20 0.36
SCN9A Q15858 4/20 0.34
PTGES O14684 4/20 0.33
CSNK1D P48730 1/20 0.32
CSNK1E P49674 1/20 0.32
ALDH1A1 P00352 1/20 0.31
RECQL P46063 1/20 0.31
GRIN2B Q13224 1/20 0.31
TDO2 P48775 1/20 0.31
TRPV3 Q8NET8 2/20 0.31
PIM1 P11309 1/20 0.31
PIM3 Q86V86 1/20 0.31
DGAT1 O75907 1/20 0.31
PDE5A O76074 1/20 0.31

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
SCHEMBL29909172 0.84
SCHEMBL29909078 0.83 PTGDR2 (0.37) PTGDR2CYP1A2SCN9AALDH1A1RECQL
SCHEMBL29909566 0.82 KDM4C (0.30)
SCHEMBL23601064 0.81 CYP1A2 (0.34) CYP1A2SCN9APTGESALDH1A1RECQL
SCHEMBL29909640 0.79 KDM1A (0.34)
SCHEMBL29909790 0.74 NR3C1 (0.37) PTGDR2GRIN2BTDO2
SCHEMBL29909849 0.74 SCN9A (0.37) PTGDR2CYP1A2SCN9APTGESALDH1A1
SCHEMBL30979130 0.74
SCHEMBL29909035 0.72 RPLP1 (0.31)
SCHEMBL29909783 0.72 DHODH (0.37)

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