SCHEMBL38180

SCHEMBL38180

O=C(NO)c1cc2nc(Cc3ccc(Cl)c(Cl)c3)[nH]c(=O)c2s1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 3/20 0.60
RNASEH1 O60930 1/20 0.52
HDAC6 Q9UBN7 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
RAB9A P51151 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CDC7 O00311 4/20 0.39
CCNE1 P24864 4/20 0.39
CDK2 P24941 4/20 0.39

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
SCHEMBL38035 0.89 PDE5A (0.55) PDE5ARNASEH1RAB9AKDM4ELMNA
SCHEMBL37626 0.86 PDE5A (0.80) PDE5AHDAC6HDAC3HDAC4HDAC1
SCHEMBL46456 0.84 PDE5A (0.57) PDE5ARNASEH1RAB9AKDM4ELMNA
SCHEMBL38484 0.84 PDE5A (0.57) PDE5ARNASEH1RAB9AKDM4ELMNA
SCHEMBL46310 0.80 PDE5A (0.74) PDE5ARNASEH1RAB9AKDM4ELMNA
SCHEMBL37644 0.79 PDE5A (0.53) PDE5ARNASEH1RAB9AKDM4ELMNA
SCHEMBL37942 0.77 PDE5A (0.78) PDE5ARNASEH1RAB9AKDM4ELMNA
SCHEMBL38179 0.77 PDE5A (0.46) PDE5ARNASEH1RAB9AKDM4ELMNA
SCHEMBL38381 0.77 PDE5A (0.47) PDE5ARNASEH1RAB9AKDM4ELMNA
SCHEMBL38005 0.76 PDE5A (0.69) PDE5ARNASEH1KDM4ECDC7CCNE1

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