SCHEMBL31169388

SCHEMBL31169388

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 2/20 0.40
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ EIF4A1 P60842 1/20 0.35
▸ PLA2G2A P14555 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.33
▸ ATM Q13315 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ RORC P51449 1/20 0.32
▸ IDO1 P14902 1/20 0.32
▸ ASH1L Q9NR48 1/20 0.32
▸ DHODH Q02127 1/20 0.32
▸ ICMT O60725 1/20 0.32
▸ LRRK2 Q5S007 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
SCHEMBL23578021 0.88 ABCG2 (0.45) ABCG2MEN1KMT2ACYP1A2CYP3A4
SCHEMBL29909003 0.88 ABCG2 (0.45) ABCG2MEN1KMT2ACYP1A2CYP3A4
SCHEMBL29909184 0.87 ABCG2 (0.52) ABCG2MAPTALDH1A1GSK3BDHODH
SCHEMBL23576737 0.87 ABCG2 (0.52) ABCG2MAPTALDH1A1GSK3BDHODH
SCHEMBL29909490 0.86 ABCG2 (0.44) ABCG2ALDH1A1SMN1; SMN2DHODH
SCHEMBL23576891 0.86 ABCG2 (0.44) ABCG2ALDH1A1SMN1; SMN2DHODH
SCHEMBL24721427 0.85 ABCG2 (0.41) ABCG2MEN1KMT2ACYP3A4MAPT
SCHEMBL29909355 0.85 ABCG2 (0.41) ABCG2MEN1KMT2ACYP3A4MAPT
SCHEMBL23577259 0.84 ABCG2 (0.43) ABCG2MEN1KMT2AMAPTALDH1A1
SCHEMBL29909220 0.84 ABCG2 (0.43) ABCG2MEN1KMT2AMAPTALDH1A1

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-B1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS CARNA BIOSCIENCES INC (JP) 2024-09-18 — — EP disclosed
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