SCHEMBL9566012

SCHEMBL9566012

CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2ccsc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.84
PTGER4 P35408 1/20 0.81
PTGER3 P43115 1/20 0.81
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
L-159913 SCHEMBL9144158 0.92 AGTR1 (1.00) AGTR1
SCHEMBL9142149 0.90 AGTR1 (0.90) AGTR1PTGER4PTGER3
SCHEMBL3489772 0.90 PTGER4 (1.00) AGTR1PTGER4PTGER3MEN1KMT2A
SCHEMBL9565941 0.89 AGTR1 (0.86) AGTR1PTGER4PTGER3
SCHEMBL9142023 0.88 AGTR1 (0.88) AGTR1PTGER4PTGER3
SCHEMBL9566023 0.88 AGTR1 (0.84) AGTR1
SCHEMBL9565990 0.88 AGTR1 (0.84) AGTR1PTGER4PTGER3
SCHEMBL9565949 0.87 AGTR1 (0.84) AGTR1
SCHEMBL9144443 0.87 AGTR1 (0.84) AGTR1
SCHEMBL9149031 0.87 AGTR1 (0.84) 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 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