SCHEMBL9530400

SCHEMBL9530400

CCCCc1nsc(C(=O)O)c1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 4/20 0.57
AGTR1 P30556 2/20 0.51

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
SCHEMBL9526081 0.95 AGTR2 (0.53) AGTR2AGTR1
SCHEMBL9527244 0.88 AGTR2 (0.46) AGTR2AGTR1
SCHEMBL9526473 0.88 AGTR1 (0.47) AGTR2AGTR1
SCHEMBL9525350 0.85 AGTR2 (0.50) AGTR2AGTR1
SCHEMBL9525641 0.83 AGTR1 (0.49) AGTR2AGTR1
SCHEMBL9529961 0.83 AGTR2 (0.57) AGTR2AGTR1
SCHEMBL9526953 0.82 AGTR2 (0.47) AGTR2AGTR1
SCHEMBL9525629 0.79 AGTR2 (0.48) AGTR2AGTR1
SCHEMBL9530005 0.78 AGTR2 (0.40) AGTR2
SCHEMBL9527261 0.77 AGTR2 (0.53) AGTR2AGTR1

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