SCHEMBL9032504

SCHEMBL9032504

CCCCc1nn(-c2ccccc2Cl)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(C)=O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 1/20 0.70
AGTR1 P30556 1/20 0.70

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
SCHEMBL9145972 0.91 AGTR1 (0.81) AGTR1
SCHEMBL9141854 0.91 AGTR1 (0.70) AGTR1
SCHEMBL9143545 0.89 AGTR1 (0.74) AGTR1
SCHEMBL9146530 0.88 EDNRA (0.72) EDNRAAGTR1
SCHEMBL9031482 0.87 EDNRA (0.77) EDNRAAGTR1
SCHEMBL9143252 0.86 EDNRA (0.69) EDNRAAGTR1
SCHEMBL9032695 0.84
SCHEMBL9565990 0.84 AGTR1 (0.84) AGTR1
SCHEMBL9565999 0.84 AGTR1 (0.83) AGTR1
SCHEMBL9143537 0.84

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-0412594-B1 Substituted triazolinones, triazolinethiones, and triazolinimines as angiotensin II antagonists MERCK & CO INC (US) 1996-01-03 EP disclosed