SCHEMBL8601425

SCHEMBL8601425

Cc1cn(Cc2ccc3c(c2)OCO3)c2cc(C(=O)Cl)ccc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 4/20 0.69
PDE4B Q07343 4/20 0.69
PDE4C Q08493 4/20 0.69
PDE4D Q08499 4/20 0.69
SLC22A12 Q96S37 2/20 0.57
MAPT P10636 2/20 0.50
TP53 P04637 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
IGF2BP1 Q9NZI8 1/20 0.46
MAPK10 P53779 1/20 0.46
HIF1A Q16665 1/20 0.46
CHRNB2 P17787 1/20 0.46
CHRNA7 P36544 1/20 0.46
CHRNA4 P43681 1/20 0.46
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45

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
SCHEMBL1553375 0.90 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DSLC22A12
Hydrochloric Acid SCHEMBL8601429 0.89 PDE4A (0.66) PDE4APDE4BPDE4CPDE4DSLC22A12
SCHEMBL1554280 0.87 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DSLC22A12
SCHEMBL8600182 0.83 SLC22A12 (0.76) PDE4APDE4BPDE4CPDE4DSLC22A12
SCHEMBL8604855 0.81 PDE4A (0.65) PDE4APDE4BPDE4CPDE4DSLC22A12
SCHEMBL8601159 0.80 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DSLC22A12
SCHEMBL8598408 0.80 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DSLC22A12
SCHEMBL8602390 0.79 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DSLC22A12
SCHEMBL1554107 0.78 PDE4A (0.65) PDE4APDE4BPDE4CPDE4DSLC22A12
SCHEMBL7395686 0.77 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DSLC22A12

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-1998005327-A1 SUBSTITUTED AROMATIC COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-02-12 WO disclosed