SCHEMBL9566015

SCHEMBL9566015

CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2ccc(Cl)s2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.82
PTGER3 P43115 1/20 0.82
AGTR1 P30556 1/20 0.81

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
SCHEMBL29433721 0.93 PTGER4 (0.82) PTGER4PTGER3AGTR1
SCHEMBL9566072 0.93 PTGER4 (0.82) PTGER4PTGER3AGTR1
SCHEMBL9565970 0.91 AGTR1 (0.79) PTGER4PTGER3AGTR1
SCHEMBL3489772 0.90 PTGER4 (1.00) PTGER4PTGER3AGTR1
SCHEMBL9565990 0.90 AGTR1 (0.84) PTGER4PTGER3AGTR1
L-159913 SCHEMBL9144158 0.89 AGTR1 (1.00) AGTR1
SCHEMBL9565941 0.89 AGTR1 (0.86) PTGER4PTGER3AGTR1
SCHEMBL9149031 0.89 AGTR1 (0.84) AGTR1
SCHEMBL9565999 0.89 AGTR1 (0.83) AGTR1
SCHEMBL9565890 0.89 PTGER4 (0.79) PTGER4PTGER3AGTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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