SCHEMBL9442986

SCHEMBL9442986

CCCCc1nc2ccc([N+](=O)[O-])cc2n1Cc1ccc(-c2ccccc2)c(C#N)c1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 1/20 0.54
PPARG P37231 1/20 0.51
AGTR1 P30556 5/20 0.47
AGTR2 P50052 5/20 0.47
TLR7 Q9NYK1 1/20 0.46

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
SCHEMBL9199997 0.91 PPARG (0.64) EDNRAPPARGAGTR1AGTR2
SCHEMBL9443092 0.86 PPARG (0.68) PPARGAGTR1AGTR2
SCHEMBL9638129 0.85 PPARG (0.57) EDNRAPPARGAGTR1AGTR2
SCHEMBL27528971 0.84 PPARG (0.55) PPARGAGTR1AGTR2
SCHEMBL9193540 0.84 PPARG (0.64) EDNRAPPARGAGTR1AGTR2
SCHEMBL9200218 0.82 AGTR1 (0.52) PPARGAGTR1AGTR2
SCHEMBL9847764 0.81 PPARG (0.55) PPARGAGTR1AGTR2
SCHEMBL9847780 0.81 PPARG (0.56) PPARGAGTR1AGTR2
SCHEMBL27361797 0.78 TLR7 (0.50) PPARGAGTR1AGTR2TLR7
SCHEMBL9851425 0.77 AGTR1 (0.56) PPARGAGTR1AGTR2

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-1029961-C Benzimidazole derivatives, their prodn. and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-10-11 CN disclosed
US-5250554-A Cardiovascular disorders TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-10-05 US disclosed
CN-1051355-A Benzimidizole derivatives, its production method and application thereof TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1991-05-15 CN disclosed