SCHEMBL8599443

SCHEMBL8599443

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

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 11/20 0.67
PDE4B Q07343 11/20 0.67
PDE4C Q08493 11/20 0.67
PDE4D Q08499 11/20 0.67
HDAC1 Q13547 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51
SLC22A12 Q96S37 5/20 0.49
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 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
SCHEMBL1553622 0.91 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DHDAC1
Hydrochloric Acid SCHEMBL8599447 0.89 PDE4A (0.66) PDE4APDE4BPDE4CPDE4DHDAC1
SCHEMBL1553995 0.87 PDE4A (0.63) PDE4APDE4BPDE4CPDE4DHDAC1
SCHEMBL8601159 0.86 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DHDAC1
SCHEMBL8604855 0.85 PDE4A (0.65) PDE4APDE4BPDE4CPDE4DHDAC1
SCHEMBL8598408 0.84 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DHDAC1
SCHEMBL8599076 0.83 SLC22A12 (0.65) PDE4APDE4BPDE4CPDE4DHDAC1
SCHEMBL1554107 0.82 PDE4A (0.65) PDE4APDE4BPDE4CPDE4DHDAC1
SCHEMBL8599802 0.81 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DHDAC1
SCHEMBL8602390 0.80 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DHDAC1

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