SCHEMBL29909685

SCHEMBL29909685

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 2/20 0.43
▸ HRH4 Q9H3N8 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.37
▸ EGFR P00533 1/20 0.35
▸ KEAP1 Q14145 2/20 0.33
▸ NFE2L2 Q16236 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ CDK1 P06493 1/20 0.33
▸ CCNB1 P14635 1/20 0.33
▸ CCNE1 P24864 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ FGFR1 P11362 1/20 0.33
▸ GSK3B P49841 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ HTR2C P28335 1/20 0.31
▸ HTR6 P50406 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ DHFR P00374 1/20 0.31

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
SCHEMBL23578003 1.00 ABCG2 (0.43) ABCG2HRH4HRH3EGFRKEAP1
SCHEMBL23601765 0.89 ABCG2 (0.44) ABCG2HRH4HRH3EGFRHTT
SCHEMBL30014094 0.89 ABCG2 (0.47) ABCG2HRH4HRH3HTTMAPT
SCHEMBL23577151 0.89 ABCG2 (0.47) ABCG2HRH4HRH3HTTMAPT
SCHEMBL24721496 0.88 ABCG2 (0.43) ABCG2HRH4HRH3EGFRKEAP1
SCHEMBL29909184 0.87 ABCG2 (0.52) ABCG2HRH4HRH3KEAP1NFE2L2
SCHEMBL23576737 0.87 ABCG2 (0.52) ABCG2HRH4HRH3KEAP1NFE2L2
SCHEMBL29909626 0.86 ABCG2 (0.43) ABCG2HRH4HRH3HTTMAPT
SCHEMBL23578002 0.86 ABCG2 (0.43) ABCG2HRH4HRH3HTTMAPT
SCHEMBL23578021 0.85 ABCG2 (0.45) ABCG2HRH4HRH3KEAP1NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118324767-A Diacylglycerol kinase modulating compounds 卡尔那生物科学株式会社 2024-07-12 — — CN disclosed
CN-115362003-A Diacylglycerol kinase modulating compounds 卡尔那生物科学株式会社 2022-11-18 — — CN disclosed
EP-4081305-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS Carna Biosciences, Inc. (JP) 2022-11-02 — — EP disclosed
Send feedback