SCHEMBL8600463

SCHEMBL8600463

Cc1cn(Cc2ccc(S(C)(=O)=O)cc2)c2cc(C3CCNC3=O)ccc12

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 4/20 0.47
PDE4B Q07343 4/20 0.47
PDE4C Q08493 4/20 0.47
PDE4D Q08499 4/20 0.47
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
SLC22A12 Q96S37 6/20 0.35
CYP11B2 P19099 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
BRD4 O60885 2/20 0.35
CFB P00751 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL8599642 0.88 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DMAOA
SCHEMBL8601399 0.87 MEN1 (0.39) PDE4APDE4BPDE4CPDE4DSLC22A12
SCHEMBL8601071 0.85 PDE4A (0.45) PDE4APDE4BPDE4CPDE4D
SCHEMBL8604472 0.84 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DSLC22A12
SCHEMBL8601274 0.82 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DSLC22A12
SCHEMBL8601267 0.81 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DSLC22A12
SCHEMBL8601171 0.78 NR1D1 (0.40) PDE4APDE4BPDE4CPDE4D
SCHEMBL8603224 0.76 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL8601087 0.76 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DBRD4
SCHEMBL8604538 0.76 HTR6 (0.42) PDE4APDE4BPDE4CPDE4DKDM4E

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