SCHEMBL37796

SCHEMBL37796

O=C(O)c1cc2nc(Cc3cccc(Cl)c3Cl)[nH]c(=O)c2s1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 3/20 0.69
KDM4E B2RXH2 3/20 0.48
LMNA P02545 2/20 0.48
MAPT P10636 1/20 0.48
POLB P06746 1/20 0.46
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
NPC1 O15118 1/20 0.38
PKM P14618 1/20 0.38
RNASEH1 O60930 1/20 0.37
TBXAS1 P24557 1/20 0.36

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
SCHEMBL37737 0.91 PDE5A (0.68) PDE5AKDM4ELMNAMAPTPOLB
SCHEMBL38235 0.82 PDE5A (0.62) PDE5AKDM4ELMNAMAPTPOLB
SCHEMBL37798 0.81 PDE5A (1.00) PDE5AKDM4ELMNAMAPTPOLB
SCHEMBL37513 0.80 PDE5A (0.79) PDE5AKDM4EKMT2APKMRNASEH1
SCHEMBL37942 0.80 PDE5A (0.78) PDE5AKDM4ELMNAPOLBRAB9A
SCHEMBL37583 0.78 PDE5A (0.78) PDE5AKDM4EKMT2ARNASEH1
SCHEMBL46310 0.77 PDE5A (0.74) PDE5AKDM4ELMNAPOLBRAB9A
SCHEMBL38178 0.77 PDE5A (0.77) PDE5AKDM4ELMNARAB9ASMN1; SMN2
SCHEMBL38065 0.77 PDE5A (0.77) PDE5ARAB9AKMT2ARNASEH1
SCHEMBL38116 0.76 PDE5A (0.63) PDE5AKDM4ELMNAPOLBRAB9A

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-2012004900-A1 THIENOPYRIMIDINE COMPOUNDS ASKA PHARMACEUTICAL CO., LTD. (JP) 2012-01-12 WO disclosed