SCHEMBL9526329

SCHEMBL9526329

CCCc1noc(C(=O)O)c1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)C2CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.49
AGTR2 P50052 1/20 0.49

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
SCHEMBL9527302 0.95 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL9527261 0.87 AGTR2 (0.53) AGTR1AGTR2
SCHEMBL9530087 0.85 AGTR2 (0.47) AGTR1AGTR2
SCHEMBL9530085 0.84 AGTR1 (0.43) AGTR1AGTR2
SCHEMBL9525641 0.84 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL9529961 0.82 AGTR2 (0.57) AGTR1AGTR2
SCHEMBL9753975 0.81 AGTR2 (0.46) AGTR1AGTR2
SCHEMBL9526473 0.79 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL9526433 0.76 AGTR1 (0.43) AGTR1AGTR2
SCHEMBL10304718 0.75 AGTR1 (0.45) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0523141-A4 SUBSTITUTED PYRAZOLES, ISOXAZOLES AND ISOTHIAZOLES 1993-04-21 EP claimed
EP-0523141-A1 SUBSTITUTED PYRAZOLES, ISOXAZOLES AND ISOTHIAZOLES MERCK & CO. INC. (US) 1993-01-20 EP claimed
WO-1991015479-A1 SUBSTITUTED PYRAZOLES, ISOXAZOLES AND ISOTHIAZOLES MERCK & CO., INC. (US) 1991-10-17 WO claimed
EP-0523141-A4 SUBSTITUTED PYRAZOLES, ISOXAZOLES AND ISOTHIAZOLES 1993-04-21 EP disclosed
EP-0523141-A1 SUBSTITUTED PYRAZOLES, ISOXAZOLES AND ISOTHIAZOLES MERCK & CO. INC. (US) 1993-01-20 EP disclosed
WO-1991015479-A1 SUBSTITUTED PYRAZOLES, ISOXAZOLES AND ISOTHIAZOLES MERCK & CO., INC. (US) 1991-10-17 WO disclosed