SCHEMBL29909131

SCHEMBL29909131

CN(c1cccc(-c2ccc(C(C)(C)C)cc2)c1)c1nc2nncn2c2cc(CO)c(F)cc12

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.33
DHODH Q02127 1/20 0.32
TP53 P04637 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
OPRD1 P41143 3/20 0.31
ICMT O60725 1/20 0.31
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
SCHEMBL23577367 1.00 ABCG2 (0.33) ABCG2DHODHTP53SMN1; SMN2OPRD1
SCHEMBL23577238 0.90 ABCG2 (0.35) ABCG2DHODHTP53SMN1; SMN2OPRD1
SCHEMBL29909506 0.90 ABCG2 (0.35) ABCG2DHODHTP53SMN1; SMN2OPRD1
SCHEMBL29909794 0.87 FNTA (0.34) ABCG2DHODHOPRD1ICMTFNTA
SCHEMBL23577282 0.87 ABCG2 (0.33) ABCG2DHODHOPRD1FNTAFNTB
SCHEMBL29909455 0.87 ABCG2 (0.33) ABCG2DHODHOPRD1FNTAFNTB
SCHEMBL23577166 0.87 FNTA (0.34) ABCG2DHODHOPRD1ICMTFNTA
SCHEMBL23576866 0.85 MGLL (0.35) TP53SMN1; SMN2OPRD1FNTAFNTB
SCHEMBL29909218 0.85 MGLL (0.35) TP53SMN1; SMN2OPRD1FNTAFNTB
SCHEMBL23577223 0.85 DHODH (0.33) ABCG2DHODHFNTAFNTB

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