SCHEMBL37737

SCHEMBL37737

O=C(O)c1cc2nc(Cc3ccccc3Cl)[nH]c(=O)c2s1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 3/20 0.68
KDM4E B2RXH2 3/20 0.59
LMNA P02545 2/20 0.59
MAPT P10636 1/20 0.59
POLB P06746 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.41
RAB9A P51151 2/20 0.41
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
RNASEH1 O60930 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
CDC7 O00311 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
ROCK1 Q13464 1/20 0.38
DBF4 Q9UBU7 1/20 0.38

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
SCHEMBL37796 0.91 PDE5A (0.69) PDE5AKDM4ELMNAMAPTPOLB
SCHEMBL38235 0.86 PDE5A (0.62) PDE5AKDM4ELMNAMAPTPOLB
SCHEMBL37513 0.84 PDE5A (0.79) PDE5AKDM4ERNASEH1KMT2ACDC7
SCHEMBL3493752 0.82 PDE5A (0.68) PDE5AKDM4ELMNAMAPTPOLB
SCHEMBL37942 0.81 PDE5A (0.78) PDE5AKDM4ELMNAPOLBSMN1; SMN2
SCHEMBL37798 0.81 PDE5A (1.00) PDE5AKDM4ELMNAMAPTPOLB
SCHEMBL46310 0.79 PDE5A (0.74) PDE5AKDM4ELMNAPOLBSMN1; SMN2
SCHEMBL38116 0.78 PDE5A (0.63) PDE5AKDM4ELMNAPOLBSMN1; SMN2
SCHEMBL38005 0.78 PDE5A (0.69) PDE5AKDM4ERNASEH1KMT2ACDC7
SCHEMBL37583 0.77 PDE5A (0.78) PDE5AKDM4ERNASEH1KMT2ACDC7

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