SCHEMBL8599802

SCHEMBL8599802

Cc1cn(Cc2ccc(S(C)(=O)=O)cc2)c2cc(C(=O)Cl)ccc12

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 12/20 0.67
PDE4B Q07343 12/20 0.67
PDE4C Q08493 12/20 0.67
PDE4D Q08499 12/20 0.67
SLC22A12 Q96S37 7/20 0.49
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48

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
SCHEMBL1553843 0.91 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DSLC22A12
Hydrochloric Acid SCHEMBL8599806 0.89 PDE4A (0.66) PDE4APDE4BPDE4CPDE4DSLC22A12
SCHEMBL1554169 0.87 PDE4A (0.65) PDE4APDE4BPDE4CPDE4DSLC22A12
SCHEMBL8604855 0.85 PDE4A (0.65) PDE4APDE4BPDE4CPDE4DSLC22A12
SCHEMBL8601159 0.84 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DSLC22A12
SCHEMBL8598408 0.84 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DSLC22A12
SCHEMBL8599807 0.83 SLC22A12 (0.65) PDE4APDE4BPDE4CPDE4DSLC22A12
SCHEMBL1554107 0.82 PDE4A (0.65) PDE4APDE4BPDE4CPDE4DSLC22A12
SCHEMBL8599443 0.81 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DSLC22A12
SCHEMBL8602390 0.80 PDE4A (0.67) 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