SCHEMBL9590508

SCHEMBL9590508

CCCCc1nc2ccc(S(C)(=O)=O)cc2c(=O)n1Cc1ccc(OC(c2nnn[nH]2)c2ccccc2OC)cc1

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ AGTR1 P30556 1/20 0.45
▸ AGTR2 P50052 1/20 0.45

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
SCHEMBL9590479 0.92 — —
SCHEMBL9592146 0.92 — —
SCHEMBL9592046 0.91 PDE4A (0.47) —
SCHEMBL9591861 0.90 AGTR1 (0.44) AGTR1AGTR2
SCHEMBL9591354 0.90 AGTR1 (0.43) AGTR1AGTR2
SCHEMBL9593914 0.87 PDE4A (0.43) —
SCHEMBL9591442 0.86 PDE4A (0.47) AGTR1AGTR2
SCHEMBL9590973 0.83 — —
SCHEMBL9593697 0.82 — —
SCHEMBL9591498 0.82 AGTR1 (0.43) 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
US-5264439-A Quinazolinone, triazolinone and pyrimidinone angiotensin II antagonists incorporating a substituted benzyl element MERCK & CO., INC. (US) 1993-11-23 — — US disclosed
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