SCHEMBL4697774

SCHEMBL4697774

O=C(Nc1c(Cl)cncc1Cl)c1ccc(O)c2ncccc12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 9/20 0.71
PDE4B Q07343 9/20 0.71
PDE4C Q08493 8/20 0.71
PDE4D Q08499 8/20 0.71
KDM4E B2RXH2 7/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
KDM6A O15550 2/20 0.55
KDM6B O15054 2/20 0.55
KDM5C P41229 2/20 0.55
EGLN1 Q9GZT9 2/20 0.55
KDM4C Q9H3R0 2/20 0.55
KDM2A Q9Y2K7 2/20 0.55
KDM3A Q9Y4C1 2/20 0.55
TET3 O43151 1/20 0.55
KDM4A O75164 1/20 0.55
KDM4B O94953 1/20 0.55
KDM4D Q6B0I6 1/20 0.55
TET2 Q6N021 1/20 0.55

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
SCHEMBL155477 0.83 PDE4D (1.00) PDE4APDE4BPDE4CPDE4DPDE11A
SCHEMBL11806642 0.78 KDM4E (0.68) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL11801910 0.76 KDM4E (0.68) KDM4EL3MBTL1NPC1RAB9AKDM6A
SCHEMBL4698503 0.75 PDE4D (0.67) PDE4APDE4BPDE4CPDE4DKCNH2
SCHEMBL27380391 0.74 KDM6A (0.66) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL27380383 0.73 KDM6A (0.65) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL27468637 0.73 KDM4E (0.77) PDE4DKDM4EL3MBTL1NPC1RAB9A
SCHEMBL6068195 0.72 KDM4E (1.00) KDM4EL3MBTL1NPC1RAB9AKDM6A
SCHEMBL29349767 0.72 KDM4E (1.00) KDM4EL3MBTL1NPC1RAB9AKDM6A
SCHEMBL27380394 0.72 KDM6A (0.62) PDE4APDE4BPDE4CPDE4DKDM4E

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
EP-0952832-B1 QUINOLINE CARBOXAMIDES AS TNF INHIBITORS AND AS PDE-IV INHIBITORS DARWIN DISCOVERY LTD (GB) 2008-08-27 EP claimed
EP-0952832-B1 QUINOLINE CARBOXAMIDES AS TNF INHIBITORS AND AS PDE-IV INHIBITORS DARWIN DISCOVERY LTD (GB) 2008-08-27 EP disclosed