SCHEMBL8892009

SCHEMBL8892009

Cc1ccc(C(=O)Nc2c(Cl)cncc2Cl)cc1OCCc1ccccn1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 16/20 0.55
PDE4B Q07343 16/20 0.55
PDE4A P27815 11/20 0.55
PDE4C Q08493 11/20 0.55
KDM4E B2RXH2 1/20 0.50
CYP2B6 P20813 1/20 0.49
ABCB11 O95342 1/20 0.44
MAPK14 Q16539 1/20 0.43
SMO Q99835 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
SCHEMBL8891655 0.89 PDE4B (0.70) PDE4DPDE4BPDE4APDE4CCYP2B6
SCHEMBL8891135 0.80 PDE4D (0.52) PDE4DPDE4BPDE4APDE4CKDM4E
SCHEMBL8890145 0.80 PDE4D (0.61) PDE4DPDE4BPDE4APDE4CKDM4E
SCHEMBL8888975 0.80 PDE4D (0.70) PDE4DPDE4BPDE4APDE4CCYP2B6
SCHEMBL8889969 0.79 PDE4B (0.69) PDE4DPDE4BPDE4APDE4CCYP2B6
SCHEMBL8890306 0.79 L3MBTL1 (0.50) KDM4EMAPK14SMO
SCHEMBL8891479 0.79 KDM4E (0.51) KDM4EMAPK14SMO
SCHEMBL8892003 0.78 PDE4D (0.53) PDE4DPDE4BPDE4APDE4CCYP2B6
SCHEMBL8891906 0.77 KDM4E (0.60) PDE4DPDE4BPDE4APDE4CKDM4E
SCHEMBL15920428 0.76 PDE4D (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