SCHEMBL8890316

SCHEMBL8890316

COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)cc1-c1ccsc1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 14/20 0.66
PDE4B Q07343 13/20 0.56
PDE4A P27815 12/20 0.56
PDE4C Q08493 12/20 0.56
CYP2B6 P20813 1/20 0.55
GFER P55789 1/20 0.47
ABL1 P00519 2/20 0.45

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
SCHEMBL8890532 0.84 PDE4D (0.70) PDE4DPDE4BPDE4APDE4CCYP2B6
SCHEMBL15270505 0.80 PDE4D (1.00) PDE4DPDE4BPDE4APDE4CCYP2B6
SCHEMBL8889395 0.80 PDE4D (0.65) PDE4DPDE4BPDE4APDE4CCYP2B6
SCHEMBL2908650 0.78 PDE4D (0.81) PDE4DPDE4BPDE4APDE4CCYP2B6
SCHEMBL6874729 0.78 PDE4D (0.81) PDE4DPDE4BPDE4APDE4CCYP2B6
SCHEMBL30614194 0.78 PDE4D (0.81) PDE4DPDE4BPDE4APDE4CCYP2B6
SCHEMBL8890618 0.77 PDE4D (0.66) PDE4DPDE4BPDE4APDE4CCYP2B6
SCHEMBL8890076 0.77 PDE4D (0.66) PDE4DPDE4BPDE4APDE4CCYP2B6
SCHEMBL7425558 0.76 PDE4D (0.72) PDE4DPDE4BPDE4APDE4CCYP2B6
SCHEMBL7357641 0.75 PDE4D (0.83) 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