SCHEMBL6199066

SCHEMBL6199066

CCOc1ncc(S(=O)(=O)N2CCN(CC)CC2)cc1C(=O)Nc1c(C(N)=O)c(-c2ccccc2)nn1CC

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.58
PDE5A O76074 4/20 0.56
KDM4E B2RXH2 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
APOBEC3A P31941 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
RIPK2 O43353 1/20 0.37
LCK P06239 1/20 0.37
KDR P35968 1/20 0.37
TGFBR1 P36897 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL6196595 0.87 PDE5A (0.55) KMT2APDE5AKDM4ERXFP1GAA
SCHEMBL6197110 0.86 KMT2A (0.54) KMT2APDE5AKDM4ERXFP1NPC1
SCHEMBL6197854 0.83 KMT2A (0.55) KMT2APDE5AKDM4ERXFP1RAB9A
SCHEMBL6197903 0.83 PDE5A (0.54) KMT2APDE5AKDM4ERXFP1GAA
SCHEMBL6447569 0.78 PDE5A (0.78) KMT2APDE5AKDM4ERXFP1
SCHEMBL6443603 0.78 PDE5A (0.70) KMT2APDE5AKDM4ERXFP1NPC1
SCHEMBL7003161 0.76 PDE5A (0.62) KMT2APDE5AKDM4ERXFP1NPC1
SCHEMBL6996946 0.76 PDE5A (0.72) KMT2APDE5AKDM4ERXFP1PKM
SCHEMBL6999379 0.75 PDE5A (0.69) KMT2APDE5AKDM4ERXFP1PKM
SCHEMBL6443282 0.75 PDE5A (0.63) KMT2APDE5AKDM4ERXFP1

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-0995751-B1 Pyrazolopyrimidinone cGMP PDE5 inhibitors for the treatment of sexual dysfunction PFIZER (US) 2005-06-29 EP disclosed