SCHEMBL29909626

SCHEMBL29909626

CN(c1ccc2ccccc2c1)c1nc2nncn2c2cc([N+](=O)[O-])ccc12

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 2/20 0.43
▸ HRH4 Q9H3N8 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.38
▸ CNR2 P34972 4/20 0.37
▸ MAPT P10636 3/20 0.36
▸ HTT P42858 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ ALPG P10696 1/20 0.35
▸ CYP19A1 P11511 1/20 0.35
▸ CNR1 P21554 2/20 0.35
▸ FGFR1 P11362 1/20 0.34
▸ ACHE P22303 2/20 0.34
▸ CDYL2 Q8N8U2 1/20 0.33
▸ CDYL Q9Y232 1/20 0.33
▸ APP P05067 1/20 0.33

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
SCHEMBL23578002 1.00 ABCG2 (0.43) ABCG2HRH4HRH3CNR2MAPT
SCHEMBL23577151 0.91 ABCG2 (0.47) ABCG2HRH4HRH3MAPTHTT
SCHEMBL30014094 0.91 ABCG2 (0.47) ABCG2HRH4HRH3MAPTHTT
SCHEMBL29909184 0.87 ABCG2 (0.52) ABCG2HRH4HRH3MAPTHTT
SCHEMBL23576737 0.87 ABCG2 (0.52) ABCG2HRH4HRH3MAPTHTT
SCHEMBL23601765 0.87 ABCG2 (0.44) ABCG2HRH4HRH3MAPTHTT
SCHEMBL29909685 0.86 ABCG2 (0.43) ABCG2HRH4HRH3MAPTHTT
SCHEMBL23578003 0.86 ABCG2 (0.43) ABCG2HRH4HRH3MAPTHTT
SCHEMBL24721496 0.86 ABCG2 (0.43) ABCG2HRH4HRH3MAPTHTT
SCHEMBL23577113 0.85 SIGMAR1 (0.41) ABCG2HRH4HRH3CNR2MAPT

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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