SCHEMBL29909377

SCHEMBL29909377

CN(c1cccc(-c2ccc(Cl)cc2)c1)c1nc2nncn2c2cc(C=O)ccc12

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
MAPT P10636 3/20 0.33
POLB P06746 2/20 0.33
TP53 P04637 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
F10 P00742 1/20 0.30
DHODH Q02127 1/20 0.30
CSNK2A2 P19784 1/20 0.30
CSNK2B P67870 1/20 0.30
PTGER4 P35408 1/20 0.30
ERN1 O75460 1/20 0.30
ABCG2 Q9UNQ0 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
SCHEMBL23576641 1.00 FNTA (0.35) FNTAFNTBMAPTPOLBTP53
SCHEMBL23576639 0.92 DHODH (0.33) MAPTPOLBSMN1; SMN2KDM4EALDH1A1
SCHEMBL29909317 0.92 DHODH (0.33) MAPTPOLBSMN1; SMN2KDM4EALDH1A1
SCHEMBL29909418 0.91 FNTA (0.35) FNTAFNTBMAPTPOLBTP53
SCHEMBL23577570 0.91 FNTA (0.35) FNTAFNTBMAPTPOLBTP53
SCHEMBL23601235 0.89 FNTA (0.40) FNTAFNTBMAPTPOLBTP53
SCHEMBL29909768 0.89 FNTA (0.40) FNTAFNTBMAPTPOLBTP53
SCHEMBL23577116 0.89 ASIC1 (0.33) FNTAFNTBMAPTKDM4EALDH1A1
SCHEMBL23576801 0.89 ALDH1A1 (0.36) MAPTTP53ALDH1A1PTGER4
SCHEMBL29909055 0.89 ALDH1A1 (0.36) MAPTTP53ALDH1A1PTGER4

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