SCHEMBL29909184

SCHEMBL29909184

CN(c1cccc(-c2ccccc2)c1)c1nc2nncn2c2cc([N+](=O)[O-])ccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 4/20 0.52
▸ ALDH1A1 P00352 3/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ GSK3B P49841 1/20 0.37
▸ CYP19A1 P11511 1/20 0.36
▸ DHODH Q02127 1/20 0.36
▸ HRH4 Q9H3N8 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36
▸ NPBWR1 P48145 1/20 0.35
▸ THRB P10828 2/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ RECQL P46063 1/20 0.35
▸ KEAP1 Q14145 1/20 0.35
▸ NFE2L2 Q16236 1/20 0.35
▸ MAPT P10636 3/20 0.35
▸ HPGD P15428 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ APOBEC3A P31941 1/20 0.35

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
SCHEMBL23576737 1.00 ABCG2 (0.52) ABCG2ALDH1A1L3MBTL1GSK3BCYP19A1
SCHEMBL23578021 0.94 ABCG2 (0.45) ABCG2ALDH1A1DHODHHRH4HRH3
SCHEMBL29909003 0.94 ABCG2 (0.45) ABCG2ALDH1A1DHODHHRH4HRH3
SCHEMBL29909490 0.93 ABCG2 (0.44) ABCG2ALDH1A1DHODHHRH4HRH3
SCHEMBL23576891 0.93 ABCG2 (0.44) ABCG2ALDH1A1DHODHHRH4HRH3
SCHEMBL23577151 0.92 ABCG2 (0.47) ABCG2ALDH1A1L3MBTL1GSK3BCYP19A1
SCHEMBL30014094 0.92 ABCG2 (0.47) ABCG2ALDH1A1L3MBTL1GSK3BCYP19A1
SCHEMBL23577259 0.91 ABCG2 (0.43) ABCG2ALDH1A1NPBWR1NPSR1MAPT
SCHEMBL29909220 0.91 ABCG2 (0.43) ABCG2ALDH1A1NPBWR1NPSR1MAPT
SCHEMBL23601765 0.88 ABCG2 (0.44) ABCG2ALDH1A1HRH4HRH3NPBWR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4445902-A2 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS Carna Biosciences, Inc. (JP) 2024-10-16 — — EP disclosed
EP-4081305-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS Carna Biosciences, Inc. (JP) 2022-11-02 — — EP disclosed
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