SCHEMBL29909490

SCHEMBL29909490

CN(c1cccc(-c2ccc(F)cc2)c1)c1nc2nncn2c2cc([N+](=O)[O-])ccc12

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 6/20 0.44
▸ DHODH Q02127 1/20 0.38
▸ TAAR1 Q96RJ0 2/20 0.34
▸ HRH4 Q9H3N8 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34
▸ KEAP1 Q14145 1/20 0.33
▸ NFE2L2 Q16236 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ NPY5R Q15761 1/20 0.32
▸ PGR P06401 1/20 0.32
▸ ENPP2 Q13822 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL23576891 1.00 ABCG2 (0.44) ABCG2DHODHTAAR1HRH4HRH3
SCHEMBL29909184 0.93 ABCG2 (0.52) ABCG2DHODHHRH4HRH3KEAP1
SCHEMBL23576737 0.93 ABCG2 (0.52) ABCG2DHODHHRH4HRH3KEAP1
SCHEMBL29909003 0.92 ABCG2 (0.45) ABCG2DHODHHRH4HRH3KEAP1
SCHEMBL23578021 0.92 ABCG2 (0.45) ABCG2DHODHHRH4HRH3KEAP1
SCHEMBL24721496 0.90 ABCG2 (0.43) ABCG2HRH4HRH3KEAP1NFE2L2
SCHEMBL29909220 0.90 ABCG2 (0.43) ABCG2ALDH1A1SMN1; SMN2
SCHEMBL23577259 0.90 ABCG2 (0.43) ABCG2ALDH1A1SMN1; SMN2
SCHEMBL24721427 0.87 ABCG2 (0.41) ABCG2ALDH1A1SMN1; SMN2
SCHEMBL29909355 0.87 ABCG2 (0.41) ABCG2ALDH1A1SMN1; SMN2

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
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