SCHEMBL9140028

SCHEMBL9140028

CCCc1nc2c(C)cc(-c3nc4ccccc4n3C)cc2n1Cc1ccc2c(c1)nc(-c1ccccc1)n2CC#N

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 4/20 0.62
▸ KDM4E B2RXH2 1/20 0.62
▸ ABCC3 O15438 1/20 0.62
▸ ABCC4 O15439 1/20 0.62
▸ USP2 O75604 1/20 0.62
▸ ABCB11 O95342 1/20 0.62
▸ ALDH1A1 P00352 1/20 0.62
▸ CHRM2 P08172 1/20 0.62
▸ CYP3A4 P08684 1/20 0.62
▸ ADRA2A P08913 1/20 0.62
▸ ADORA3 P0DMS8 1/20 0.62
▸ CHRM1 P11229 1/20 0.62
▸ CYP2C9 P11712 1/20 0.62
▸ ACE P12821 1/20 0.62
▸ ADRA2C P18825 1/20 0.62
▸ TBXA2R P21731 1/20 0.62
▸ GLRA1 P23415 1/20 0.62
▸ PDE4A P27815 1/20 0.62
▸ HTR2A P28223 1/20 0.62
▸ MAPK1 P28482 1/20 0.62

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
SCHEMBL9136081 0.94 PPARG (0.63) PPARGKDM4EABCC3ABCC4USP2
SCHEMBL9136803 0.87 PPARG (0.69) PPARGKDM4EABCC3ABCC4USP2
SCHEMBL1249924 0.85 PPARG (0.78) PPARGKDM4EABCC3ABCC4USP2
SCHEMBL2040839 0.85 PPARG (0.67) PPARGKDM4EABCC3ABCC4USP2
SCHEMBL9137178 0.84 PPARG (0.65) PPARGKDM4EABCC3ABCC4USP2
SCHEMBL9135348 0.84 PPARG (0.58) PPARGKDM4EABCC3ABCC4USP2
SCHEMBL13382771 0.83 PPARG (0.75) PPARGKDM4EABCC3ABCC4USP2
SCHEMBL9137086 0.83 AGTR1 (0.57) PPARGAGTR1AGTR2TP53MAPT
SCHEMBL4362116 0.82 PPARG (0.56) PPARGKDM4EABCC3ABCC4USP2
SCHEMBL16456732 0.82 PPARG (0.70) PPARGKDM4EABCC3ABCC4USP2

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
US-5459147-A Angeotensin-antagonistic effects; hypotensive, antiischemic, and antidiabetic agents, treating glaucoma DR. KARL THOMAE GMBH (DE) 1995-10-17 — — US disclosed
EP-0560330-A2 Substituted benzimidazolyl derivatives, therapeutic agents containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1993-09-15 — — EP disclosed
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