SCHEMBL8900252

SCHEMBL8900252

COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)cc1OCc1nc(C)no1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 10/20 0.65
PDE4B Q07343 12/20 0.63
PDE4A P27815 7/20 0.63
PDE4C Q08493 7/20 0.63
CYP2B6 P20813 1/20 0.62
SMPD1 P17405 4/20 0.47
ABCB11 O95342 1/20 0.47

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
SCHEMBL8890634 0.87 PDE4D (0.60) PDE4DPDE4BPDE4APDE4CCYP2B6
SCHEMBL8889628 0.87 PDE4D (0.61) PDE4DPDE4BPDE4APDE4CCYP2B6
SCHEMBL8890668 0.85 PDE4D (0.57) PDE4DPDE4BPDE4APDE4CCYP2B6
SCHEMBL8900644 0.84 PDE4D (0.56) PDE4DPDE4BPDE4APDE4CCYP2B6
SCHEMBL8888686 0.80 PDE4D (0.73) PDE4DPDE4BPDE4APDE4CCYP2B6
SCHEMBL8889614 0.80 PDE4D (0.73) PDE4DPDE4BPDE4APDE4CCYP2B6
SCHEMBL15270505 0.80 PDE4D (1.00) PDE4DPDE4BPDE4APDE4CCYP2B6
SCHEMBL987384 0.80 PDE4B (0.80) PDE4DPDE4BPDE4APDE4CCYP2B6
SCHEMBL8889146 0.79 CASP3 (0.41) PDE4DPDE4BPDE4APDE4CCYP2B6
SCHEMBL8889143 0.79 CASP3 (0.41) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997003967-A1 SUBSTITUTED AROMATIC COMPOUNDS AND THEIR PHARMACEUTICAL USE RHONE-POULENC RORER LIMITED (GB) 1997-02-06 WO claimed
WO-1997003967-A1 SUBSTITUTED AROMATIC COMPOUNDS AND THEIR PHARMACEUTICAL USE RHONE-POULENC RORER LIMITED (GB) 1997-02-06 WO disclosed