SCHEMBL9704832

SCHEMBL9704832

CCCCc1nc2cnc(OC)nc2n1Cc1ccc(-c2ccccc2OC(=O)OC)cc1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.48
AGTR2 P50052 2/20 0.48
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
HSD17B10 Q99714 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
SCHEMBL9703977 0.94 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL9704677 0.92 AGTR1 (0.51) AGTR1AGTR2CYP1A2CYP3A4
SCHEMBL9705888 0.92 AGTR1 (0.47) AGTR1AGTR2ALDH1A1CYP1A2CYP3A4
SCHEMBL9704635 0.88 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL9704774 0.86 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL9704670 0.85 AGTR1 (0.67) AGTR1AGTR2
SCHEMBL9704678 0.84 AGTR1 (0.48) AGTR1AGTR2
SCHEMBL9705125 0.81 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL9704666 0.80 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL9704660 0.80 AGTR1 (0.49) 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 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 disclosed