SCHEMBL9136736

SCHEMBL9136736

CCCCc1nc2ccccc2n1Cc1ccc2c(c1)nc(-c1ccccc1)n2CC(=O)O

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ AGTR1 P30556 6/20 0.65
▸ AGTR2 P50052 6/20 0.65
▸ KDM4E B2RXH2 1/20 0.60
▸ HSD17B10 Q99714 1/20 0.60
▸ APEX1 P27695 1/20 0.56
▸ PPARG P37231 4/20 0.55

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
SCHEMBL9137942 0.94 AGTR1 (0.65) AGTR1AGTR2KDM4EHSD17B10APEX1
SCHEMBL9135644 0.91 AGTR1 (0.61) AGTR1AGTR2KDM4EPPARG
SCHEMBL9136730 0.85 AGTR1 (0.61) AGTR1AGTR2KDM4EPPARG
SCHEMBL9137086 0.85 AGTR1 (0.57) AGTR1AGTR2PPARG
SCHEMBL9136803 0.83 PPARG (0.69) AGTR1AGTR2KDM4EHSD17B10PPARG
SCHEMBL9422759 0.81 APEX1 (0.84) AGTR1AGTR2KDM4EAPEX1
SCHEMBL9138449 0.81 AGTR1 (0.53) AGTR1AGTR2
SCHEMBL9198204 0.79 AGTR1 (1.00) AGTR1AGTR2PPARG
SCHEMBL9137910 0.79 AGTR1 (0.57) AGTR1AGTR2PPARG
SCHEMBL15643888 0.77 HSD17B10 (1.00) KDM4EHSD17B10APEX1

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
US-5459147-A Angeotensin-antagonistic effects; hypotensive, antiischemic, and antidiabetic agents, treating glaucoma DR. KARL THOMAE GMBH (DE) 1995-10-17 — — US disclosed
EP-0560330-A2 Substituted benzimidazolyl derivatives, therapeutic agents containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1993-09-15 — — EP disclosed
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