SCHEMBL6646139

SCHEMBL6646139

CCCOc1ccc(S(=O)(=O)Cl)cc1-c1nc2c(CCC)c(Cl)n(C)c2c(=O)[nH]1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 18/20 0.54
KMT2A Q03164 1/20 0.52
KDM4E B2RXH2 1/20 0.51

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
SCHEMBL6642885 0.94 KMT2A (0.59) PDE5AKMT2AKDM4E
SCHEMBL6646508 0.93 PDE5A (0.54) PDE5AKMT2AKDM4E
SCHEMBL6641389 0.90 PDE5A (0.55) PDE5AKMT2AKDM4E
SCHEMBL6646921 0.90 PDE5A (0.53) PDE5AKMT2AKDM4E
SCHEMBL24307141 0.89 PDE5A (0.62) PDE5AKMT2AKDM4E
SCHEMBL6640382 0.88 PDE5A (0.73) PDE5A
SCHEMBL6644911 0.86 KMT2A (0.59) PDE5AKMT2AKDM4E
SCHEMBL6642909 0.85 PDE5A (0.56) PDE5AKMT2AKDM4E
SCHEMBL6646009 0.84 PDE5A (0.65) PDE5A
SCHEMBL6647593 0.84 PDE5A (0.74) PDE5A

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
EP-1257553-B1 PYRROLOPYRIMIDINONE DERIVATIVES, PROCESS OF PREPARATION AND USE SK CHEMICALS CO LTD (KR) 2004-05-26 EP disclosed