SCHEMBL9704785

SCHEMBL9704785

CCCCc1nc2cccnc2n1Cc1ccc(-c2ccccc2OC(=O)O)cc1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 5/20 0.62
AGTR2 P50052 5/20 0.62
ENPP2 Q13822 1/20 0.57
LMNA P02545 2/20 0.54
PPARG P37231 3/20 0.53
ALDH1A1 P00352 1/20 0.53
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51

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
SCHEMBL9704742 0.88 AGTR1 (0.55) AGTR1AGTR2PPARG
SCHEMBL9041377 0.87 AGTR1 (0.74) AGTR1AGTR2PPARG
SCHEMBL9705910 0.86 AGTR1 (0.53) AGTR1AGTR2PPARG
SCHEMBL9704633 0.86 AGTR1 (0.51) AGTR1AGTR2PPARG
SCHEMBL7851373 0.86 AGTR1 (0.75) AGTR1AGTR2PPARG
SCHEMBL9704399 0.85 AGTR1 (0.54) AGTR1AGTR2PPARG
SCHEMBL9704116 0.85 AGTR1 (0.51) AGTR1AGTR2PPARG
SCHEMBL9705252 0.84 AGTR1 (0.51) AGTR1AGTR2PPARG
SCHEMBL9704774 0.84 AGTR1 (0.51) AGTR1AGTR2PPARG
SCHEMBL9704677 0.84 AGTR1 (0.51) AGTR1AGTR2PPARG

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
EP-0470543-A1 Heterocyclic imidazoles, remedies containing them and processes for their preparation Dr. Karl Thomae GmbH (DE) 1992-02-12 EP claimed