SCHEMBL9044232

SCHEMBL9044232

CCCCc1nc2c([N+](=O)[O-])cccc2n1Cc1ccc(-c2ccccc2OC(=O)OC(C)(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.48
AGTR2 P50052 2/20 0.48
PPARG P37231 9/20 0.47

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
SCHEMBL9040081 0.90 AGTR1 (0.53) AGTR1AGTR2PPARG
SCHEMBL9043963 0.89 AGTR1 (0.51) AGTR1AGTR2PPARG
SCHEMBL9042580 0.89 AGTR1 (0.51) AGTR1AGTR2PPARG
SCHEMBL8393688 0.88 AGTR1 (0.55) AGTR1AGTR2PPARG
SCHEMBL9044522 0.88 AGTR1 (0.50) AGTR1AGTR2PPARG
SCHEMBL9040980 0.86 PPARG (0.51) AGTR1AGTR2PPARG
SCHEMBL9041464 0.86 AGTR1 (0.50) AGTR1AGTR2PPARG
SCHEMBL9041236 0.85 AGTR1 (0.66) AGTR1AGTR2PPARG
SCHEMBL9704652 0.85 AGTR1 (0.49) AGTR1AGTR2PPARG
SCHEMBL9043002 0.84 AGTR1 (0.47) AGTR1AGTR2

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-0392317-B1 Benzimidazoles, drugs containing these compounds and process for their preparation THOMAE GMBH DR K (DE) 1996-01-03 EP disclosed
EP-0392317-A2 Benzimidazoles, drugs containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1990-10-17 EP disclosed