SCHEMBL37942

SCHEMBL37942

O=C(O)c1cc2nc(Cc3ccc(Cl)cc3)[nH]c(=O)c2s1

nearest known ligand 0.78

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 3/20 0.78
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
RNASEH1 O60930 3/20 0.45
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.42

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
SCHEMBL38005 0.89 PDE5A (0.69) PDE5AKDM4ERNASEH1KMT2A
SCHEMBL37513 0.89 PDE5A (0.79) PDE5AKDM4ERNASEH1KMT2A
SCHEMBL44227 0.88 PDE5A (0.67) PDE5ALMNARAB9ARNASEH1KMT2A
SCHEMBL46310 0.88 PDE5A (0.74) PDE5AKDM4ELMNARAB9ASMN1; SMN2
SCHEMBL37798 0.87 PDE5A (1.00) PDE5AKDM4ELMNARAB9ASMN1; SMN2
SCHEMBL10084040 0.85 PDE5A (0.59) PDE5AKDM4ELMNARAB9ASMN1; SMN2
SCHEMBL37981 0.82 PDE5A (0.66) PDE5AKDM4ELMNARAB9ASMN1; SMN2
SCHEMBL37583 0.81 PDE5A (0.78) PDE5AKDM4ERNASEH1KMT2A
SCHEMBL37737 0.81 PDE5A (0.68) PDE5AKDM4ELMNARAB9ASMN1; SMN2
SCHEMBL12505649 0.81 PDE5A (0.65) PDE5AKDM4ELMNARAB9ASMN1; SMN2

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