SCHEMBL29909078

SCHEMBL29909078

CN(c1cccc(-c2ccc(OCC(F)(F)F)nc2)c1)c1nc2nnc(Cl)n2c2ccc(F)cc12

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.37
ALDH1A1 P00352 1/20 0.35
RECQL P46063 1/20 0.35
SCN9A Q15858 3/20 0.34
ABCG2 Q9UNQ0 1/20 0.34
DHODH Q02127 1/20 0.34
FYN P06241 1/20 0.33
TDO2 P48775 1/20 0.33
CYP1A2 P05177 1/20 0.33
GRM5 P41594 1/20 0.32
SYK P43405 1/20 0.32
DGAT1 O75907 2/20 0.31
NR3C1 P04150 1/20 0.31
PSD A5PKW4 1/20 0.31
ELOVL1 Q9BW60 1/20 0.31
TRPV3 Q8NET8 1/20 0.31
ATM Q13315 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
SCHEMBL29909790 0.92 NR3C1 (0.37) PTGDR2ABCG2DHODHFYNTDO2
SCHEMBL29909849 0.92 SCN9A (0.37) PTGDR2ALDH1A1RECQLSCN9AABCG2
SCHEMBL29909783 0.89 DHODH (0.37) ABCG2DHODHGRM5NR3C1ATM
SCHEMBL29909148 0.86 DHODH (0.39) SCN9AABCG2DHODHNR3C1
SCHEMBL29909452 0.85 DHODH (0.38) SCN9AABCG2DHODHCYP1A2
SCHEMBL29909747 0.84 ABCG2 (0.36) ABCG2DHODH
SCHEMBL29909012 0.83 PTGDR2 (0.39) PTGDR2ALDH1A1RECQLSCN9ATDO2
SCHEMBL29909513 0.83 ABCG2 (0.35) PTGDR2ABCG2DHODH
SCHEMBL29909517 0.83 DHODH (0.36) ABCG2DHODHNR3C1
SCHEMBL29909252 0.81 ABCG2 (0.45) ABCG2DHODH

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