SCHEMBL44202

SCHEMBL44202

O=c1[nH]c(Cc2cccc(Cl)c2)nc2cc(P3(=O)OCO3)sc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 4/20 0.61
PDE9A O76083 1/20 0.45
PDE1A P54750 1/20 0.45
PDE1B Q01064 1/20 0.45
PDE1C Q14123 1/20 0.45
RAB9A P51151 3/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PNP P00491 1/20 0.37
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36
TUBB2A Q13885 1/20 0.36
TUBB8 Q3ZCM7 1/20 0.36
TUBA3E Q6PEY2 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
SCHEMBL37798 0.76 PDE5A (1.00) PDE5APDE9APDE1APDE1BPDE1C
SCHEMBL38312 0.76 PDE5A (0.70) PDE5APDE9APDE1APDE1BPDE1C
SCHEMBL38275 0.75 PDE5A (0.69) PDE5APDE9APDE1APDE1BPDE1C
SCHEMBL37864 0.75 PDE5A (0.82) PDE5APDE9APDE1APDE1BPDE1C
SCHEMBL37584 0.75 PDE5A (0.66) PDE5APDE9APDE1APDE1BPDE1C
SCHEMBL37626 0.74 PDE5A (0.80) PDE5APDE9APDE1APDE1BPDE1C
SCHEMBL38289 0.73 PDE5A (0.63) PDE5APDE9APDE1APDE1BPDE1C
SCHEMBL44254 0.73 PDE5A (0.59) PDE5APDE9APDE1APDE1BPDE1C
SCHEMBL44050 0.72 PDE5A (0.61) PDE5APDE9APDE1APDE1BPDE1C
SCHEMBL46289 0.72 PDE5A (0.76) 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