SCHEMBL9565894

SCHEMBL9565894

CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2occc2C)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.79
MEN1 O00255 1/20 0.77
KMT2A Q03164 1/20 0.77

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
SCHEMBL9145126 0.93 AGTR1 (0.79) AGTR1
SCHEMBL3491542 0.91 AGTR1 (0.79) AGTR1
SCHEMBL9566075 0.90 AGTR1 (0.78) AGTR1
SCHEMBL9566049 0.90 AGTR1 (0.82) AGTR1
SCHEMBL9565930 0.89 AGTR1 (0.79) AGTR1
SCHEMBL9565889 0.89 AGTR1 (0.83) AGTR1
SCHEMBL9566020 0.89 AGTR1 (0.78) AGTR1
SCHEMBL9566143 0.89 AGTR1 (0.82) AGTR1
L-159913 SCHEMBL9144158 0.88 AGTR1 (1.00) AGTR1
SCHEMBL9565941 0.88 AGTR1 (0.86) AGTR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0526001-A1 Substituted triazolinones MERCK & CO. INC. (US) 1993-02-03 EP claimed
WO-1993001177-A1 SUBSTITUTED TRIAZOLINONES MERCK & CO., INC. (US) 1993-01-21 WO claimed
EP-0526001-A1 Substituted triazolinones MERCK & CO. INC. (US) 1993-02-03 EP disclosed
WO-1993001177-A1 SUBSTITUTED TRIAZOLINONES MERCK & CO., INC. (US) 1993-01-21 WO disclosed