SCHEMBL7390353

SCHEMBL7390353

CSc1ncc(C(=O)Nc2c(Cl)cncc2Cl)cc1OC(C)C

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 15/20 0.51
GFER P55789 1/20 0.49
PDE4B Q07343 15/20 0.46
PDE4A P27815 6/20 0.46
PDE4C Q08493 6/20 0.46
CYP2B6 P20813 1/20 0.45
ABCB11 O95342 1/20 0.45
KCNQ3 O43525 1/20 0.40
KCNQ2 O43526 1/20 0.40

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
SCHEMBL7356087 0.87 PDE4B (0.48) PDE4DGFERPDE4BPDE4APDE4C
SCHEMBL7356090 0.86 PDE4D (0.49) PDE4DGFERPDE4BPDE4APDE4C
SCHEMBL7351599 0.82 PDE4D (0.60) PDE4DGFERPDE4BPDE4APDE4C
SCHEMBL7389479 0.81 PDE4D (0.65) PDE4DGFERPDE4BPDE4APDE4C
SCHEMBL70307 0.80 PDE4D (0.51) PDE4DPDE4BPDE4APDE4C
SCHEMBL7353637 0.77 PDE4D (0.81) PDE4DGFERPDE4BPDE4APDE4C
SCHEMBL7353934 0.77 PDE4B (0.50) PDE4DGFERPDE4BPDE4APDE4C
SCHEMBL70809 0.76 PSMD14 (0.40) GFERKCNQ3KCNQ2
SCHEMBL7359867 0.76 XDH (0.46) KCNQ3KCNQ2
SCHEMBL2889353 0.75 PDE4D (0.68) PDE4DPDE4BPDE4APDE4CCYP2B6

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0741707-B1 SUBSTITUTED AROMATIC COMPOUNDS AS c.AMP PHOSPHODIESTERASE- AND TNF-INHIBITORS RHONE POULENC RORER LTD (GB) 1998-04-01 EP disclosed
EP-0741707-A1 SUBSTITUTED AROMATIC COMPOUNDS AS c.AMP PHOSPHODIESTERASE- AND TNF-INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1996-11-13 EP disclosed
WO-1995020578-A1 SUBSTITUTED AROMATIC COMPOUNDS AS c.AMP PHOSPHODIESTERASE- AND TNF-INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1995-08-03 WO disclosed