SCHEMBL38176

SCHEMBL38176

N#CNC(=O)c1cc2c(=O)[nH]c(Cc3cccc(Cl)c3)nc2s1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 4/20 0.73
MAPT P10636 3/20 0.44
PDE9A O76083 1/20 0.43
PDE1A P54750 1/20 0.43
PDE1B Q01064 1/20 0.43
PDE1C Q14123 1/20 0.43
TP53 P04637 1/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CTSV O60911 1/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
CCNB2 O95067 1/20 0.36
CCNE2 O96020 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
SCHEMBL3492301 0.85 PDE5A (1.00) PDE5AMAPTPDE9APDE1APDE1B
SCHEMBL38530 0.85 PDE5A (0.73) PDE5AMAPTPDE9APDE1APDE1B
SCHEMBL38743 0.84 PDE5A (0.82) PDE5AMAPTPDE9APDE1APDE1B
SCHEMBL38098 0.84 PDE5A (0.56) PDE5AMAPTPDE9APDE1APDE1B
SCHEMBL4515609 0.80 PDE5A (0.76) PDE5AMAPTPDE9APDE1APDE1B
SCHEMBL38463 0.78 PDE5A (0.69) PDE5AMAPTPDE9APDE1APDE1B
SCHEMBL16175587 0.77 PDE5A (0.74) PDE5APDE9APDE1APDE1BPDE1C
SCHEMBL38370 0.77 PDE5A (0.70) PDE5APDE9APDE1APDE1BPDE1C
Meglumine SCHEMBL21459098 0.75 PDE5A (0.74) PDE5AMAPTPDE9APDE1APDE1B
SCHEMBL37888 0.74 PDE5A (0.63) 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