SCHEMBL9754831

SCHEMBL9754831

CCCc1nc2c(Br)cccc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 11/20 1.00
AGTR1 P30556 1/20 0.65
AGTR2 P50052 1/20 0.65

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
SCHEMBL19342750 0.89 PPARG (1.00) PPARGAGTR1AGTR2
SCHEMBL9754844 0.87 PPARG (0.78) PPARGAGTR1AGTR2
SCHEMBL8396958 0.85 PPARG (1.00) PPARGAGTR1AGTR2
SCHEMBL8396606 0.83 AGTR1 (0.75) PPARGAGTR1AGTR2
SCHEMBL9336956 0.82 PPARG (0.91) PPARG
SCHEMBL8395682 0.81 AGTR1 (0.72) PPARGAGTR1AGTR2
SCHEMBL29387259 0.81 AGTR1 (0.82) PPARGAGTR1AGTR2
SCHEMBL8266757 0.81 AGTR1 (0.82) PPARGAGTR1AGTR2
SCHEMBL4569976 0.81 PPARG (0.78) PPARGAGTR1AGTR2
SCHEMBL4564619 0.81 PPARG (0.79) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1991013063-A1 NEW BENZIMIDAZOLE DERIVATIVES, METHOD FOR PREPARING THEM AND THEIR PHARMACEUTICAL USE SCHERING AKTIENGESELLSCHAFT BERLIN UND BERGKAMEN (DE) 1991-09-05 WO disclosed