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Sugi Predict / Compounds / SCHEMBL29909614

SCHEMBL29909614

SCHEMBL29909614

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

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ABCG2 Q9UNQ0 1/20 0.32
▸ 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
SCHEMBL23577223 1.00 DHODH (0.33) DHODHKDM4EMEN1ALDH1A1LMNA
SCHEMBL23577238 0.90 ABCG2 (0.35) DHODHABCG2FNTAFNTB
SCHEMBL29909506 0.90 ABCG2 (0.35) DHODHABCG2FNTAFNTB
SCHEMBL29909455 0.87 ABCG2 (0.33) DHODHABCG2FNTAFNTB
SCHEMBL23577166 0.87 FNTA (0.34) DHODHABCG2FNTAFNTB
SCHEMBL29909794 0.87 FNTA (0.34) DHODHABCG2FNTAFNTB
SCHEMBL23577282 0.87 ABCG2 (0.33) DHODHABCG2FNTAFNTB
SCHEMBL23577116 0.85 ASIC1 (0.33) KDM4EMEN1ALDH1A1LMNAMAPT
SCHEMBL29909022 0.85 ASIC1 (0.33) KDM4EMEN1ALDH1A1LMNAMAPT
SCHEMBL23577367 0.85 ABCG2 (0.33) DHODHABCG2FNTAFNTB

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