SCHEMBL9057424

SCHEMBL9057424

COC(=O)C1=C(C)N(CC(F)(F)F)NC1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.49
AGTR2 P50052 3/20 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
SCHEMBL9044271 0.89 AGTR1 (0.52) AGTR1AGTR2
SCHEMBL9040343 0.88 AGTR1 (0.52) AGTR1AGTR2
SCHEMBL9056317 0.83 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL9039202 0.82 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL9056324 0.82 AGTR1 (0.48) AGTR1AGTR2
SCHEMBL9057524 0.79 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL9057384 0.77 TDP1 (0.39)
SCHEMBL9057420 0.77 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL9057471 0.76 AGTR1 (0.57) AGTR1AGTR2
SCHEMBL9053868 0.74 AGTR1 (0.48) 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
WO-1996004273-A1 NEW PYRAZOLE DERIVATIVES AS ANGIOTENSIN II ANTAGONIST J. URIACH & CIA, S.A. (ES) 1996-02-15 WO disclosed