SCHEMBL7543611

SCHEMBL7543611

CCCOc1ccc(S(=O)(=O)Cl)cc1-c1nc2c(C)nn(CC)c2c(=O)[nH]1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 16/20 0.54
KMT2A Q03164 1/20 0.49
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL3835987 0.89 PDE5A (0.60) PDE5AKMT2A
SCHEMBL3844228 0.85 PDE5A (0.64) PDE5AKDM4E
SCHEMBL1263 0.83 KMT2A (0.68) PDE5AKMT2AKDM4E
SCHEMBL3836990 0.82 PDE5A (0.48) PDE5A
SCHEMBL845 0.82 PDE5A (0.68) PDE5AKMT2AKDM4E
SCHEMBL7354844 0.81 PDE5A (0.70) PDE5A
SCHEMBL6646508 0.81 PDE5A (0.54) PDE5AKMT2AKDM4E
SCHEMBL6646139 0.81 PDE5A (0.54) PDE5AKMT2AKDM4E
SCHEMBL31202676 0.81 KMT2A (0.73) PDE5AKMT2AKDM4E
SCHEMBL1253 0.81 KMT2A (0.73) PDE5AKMT2AKDM4E

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-1993006104-A1 PYRAZOLOPYRIMIDINONE ANTIANGINAL AGENTS PFIZER LIMITED (GB) 1993-04-01 WO disclosed