SCHEMBL9756533

SCHEMBL9756533

CCCCc1nnc(SCc2ccc(OC)cc2)n1Cc1ccc(OC(C(=O)OC)c2ccccc2Cl)cc1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE6D O43924 1/20 0.49
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL7409094 0.93 AGTR2 (0.51) PDE6D
SCHEMBL9525475 0.90 PDE6D (0.53) PDE6D
SCHEMBL7415157 0.87 AGTR2 (0.52)
SCHEMBL7404536 0.86 AGTR2 (0.55)
SCHEMBL7415512 0.85
SCHEMBL7417768 0.85 PDE6D (0.49) PDE6D
SCHEMBL7416604 0.85 PDE6D (0.50) PDE6D
SCHEMBL7404978 0.84 PDE6D (0.53) PDE6D
SCHEMBL7412140 0.84 PDE6D (0.45) PDE6D
SCHEMBL9524045 0.83 AGTR2 (0.48)

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-1991011909-A1 TRIAZOLE ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT MERCK & CO., INC. (US) 1991-08-22 WO disclosed