SCHEMBL8888975

SCHEMBL8888975

COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)cc1OCc1ccccn1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 10/20 0.70
PDE4B Q07343 11/20 0.68
PDE4A P27815 6/20 0.68
PDE4C Q08493 6/20 0.68
CYP2B6 P20813 1/20 0.67
HDAC8 Q9BY41 2/20 0.53
POLB P06746 1/20 0.52
ABCB11 O95342 1/20 0.50
CSNK2A2 P19784 1/20 0.49
CSNK2A1 P68400 1/20 0.49
LMNA P02545 1/20 0.48
SMPD1 P17405 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 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
SCHEMBL8891655 0.91 PDE4B (0.70) PDE4DPDE4BPDE4APDE4CCYP2B6
SCHEMBL8889614 0.88 PDE4D (0.73) PDE4DPDE4BPDE4APDE4CCYP2B6
SCHEMBL8890145 0.86 PDE4D (0.61) PDE4DPDE4BPDE4APDE4CCYP2B6
SCHEMBL8888686 0.85 PDE4D (0.73) PDE4DPDE4BPDE4APDE4CCYP2B6
SCHEMBL8891197 0.85 PDE4D (0.69) PDE4DPDE4BPDE4APDE4CCYP2B6
SCHEMBL15270505 0.83 PDE4D (1.00) PDE4DPDE4BPDE4APDE4CCYP2B6
SCHEMBL8890668 0.83 PDE4D (0.57) PDE4DPDE4BPDE4APDE4CCYP2B6
SCHEMBL8890089 0.82 PDE4B (0.76) PDE4DPDE4BPDE4APDE4CCYP2B6
SCHEMBL7361935 0.82 PDE4B (0.94) PDE4DPDE4BPDE4APDE4CCYP2B6
SCHEMBL8889824 0.82 PDE4B (0.71) 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