SCHEMBL20190099

SCHEMBL20190099

COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)CC(O)c2ccc(Cl)cc2S(C)(=O)=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
APLNR P35414 15/20 0.48
ACLY P53396 1/20 0.45
TAS2R14 Q9NYV8 1/20 0.42
LMNA P02545 2/20 0.42
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL20190097 1.00 APLNR (0.48) APLNRACLYTAS2R14LMNAMEN1
SCHEMBL20190581 1.00 APLNR (0.48) APLNRACLYTAS2R14LMNAMEN1
SCHEMBL18245914 0.77 APLNR (0.61) APLNRTAS2R14
SCHEMBL18245917 0.77 APLNR (0.61) APLNRTAS2R14
SCHEMBL18246361 0.77 APLNR (0.61) APLNRTAS2R14
SCHEMBL20189491 0.77 APLNR (0.58) APLNRTAS2R14
SCHEMBL20189985 0.77 APLNR (0.58) APLNRTAS2R14
SCHEMBL20189489 0.77 APLNR (0.58) APLNRTAS2R14
SCHEMBL22119648 0.74 APLNR (0.59) APLNRTAS2R14
SCHEMBL20188403 0.72 APLNR (0.41) APLNR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3541805-B1 HETEROARYL-SUBSTITUTED TRIAZOLES AS APJ RECEPTOR AGONISTS AMGEN INC (US) 2020-10-14 EP disclosed
EP-3541805-A1 HETEROARYL-SUBSTITUTED TRIAZOLES AS APJ RECEPTOR AGONISTS Amgen Inc. (US) 2019-09-25 EP disclosed
WO-2018097945-A1 HETEROARYL-SUBSTITUTED TRIAZOLES AS APJ RECEPTOR AGONISTS AMGEN INC. (US) 2018-05-31 WO disclosed