SCHEMBL37626

SCHEMBL37626

O=C(NO)c1cc2nc(Cc3cccc(Cl)c3)[nH]c(=O)c2s1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 4/20 0.80
MAPT P10636 3/20 0.46
PDE9A O76083 1/20 0.44
PDE1A P54750 1/20 0.44
PDE1B Q01064 1/20 0.44
PDE1C Q14123 1/20 0.44
RAB9A P51151 3/20 0.44
KDM4E B2RXH2 2/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HDAC1 Q13547 4/20 0.43
HDAC3 O15379 3/20 0.43
HDAC2 Q92769 3/20 0.43
HDAC6 Q9UBN7 3/20 0.43
HDAC4 P56524 2/20 0.43
HDAC7 Q8WUI4 2/20 0.43
HDAC10 Q969S8 2/20 0.43
HDAC11 Q96DB2 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC9 Q9UKV0 2/20 0.43

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
SCHEMBL37798 0.89 PDE5A (1.00) PDE5AMAPTPDE9APDE1APDE1B
SCHEMBL38530 0.89 PDE5A (0.73) PDE5AMAPTPDE9APDE1APDE1B
SCHEMBL37864 0.88 PDE5A (0.82) PDE5AMAPTPDE9APDE1APDE1B
SCHEMBL38180 0.86 PDE5A (0.60) PDE5AMAPTRAB9AKDM4ELMNA
SCHEMBL46289 0.85 PDE5A (0.76) PDE5AMAPTPDE9APDE1APDE1B
SCHEMBL38275 0.82 PDE5A (0.69) PDE5AMAPTPDE9APDE1APDE1B
SCHEMBL38312 0.81 PDE5A (0.70) PDE5APDE9APDE1APDE1BPDE1C
SCHEMBL38178 0.78 PDE5A (0.77) PDE5ARAB9AKDM4ELMNASMN1; SMN2
SCHEMBL44200 0.78 PDE5A (0.63) PDE5AMAPTPDE9APDE1APDE1B
SCHEMBL37584 0.77 PDE5A (0.66) PDE5APDE9APDE1APDE1BPDE1C

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