SCHEMBL4701482

SCHEMBL4701482

COc1ccc(C(=O)Nc2ccccc2F)c2cccnc12

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.71
RAB9A P51151 3/20 0.71
L3MBTL1 Q9Y468 2/20 0.71
NPC1 O15118 2/20 0.71
PDE4D Q08499 5/20 0.66
PDE4A P27815 4/20 0.66
PDE4B Q07343 4/20 0.66
PDE4C Q08493 4/20 0.66
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
MAPT P10636 4/20 0.50
TP53 P04637 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KDR P35968 1/20 0.49
HTT P42858 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CASP3 P42574 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
LMNA P02545 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
SCHEMBL4697930 0.89 PDE4A (0.70) KDM4ERAB9AL3MBTL1NPC1PDE4D
SCHEMBL4702946 0.87 PDE4A (0.67) KDM4ERAB9AL3MBTL1NPC1PDE4D
SCHEMBL4701218 0.86 PDE4D (0.78) KDM4ERAB9AL3MBTL1NPC1PDE4D
SCHEMBL4698455 0.85 PDE4D (0.62) KDM4ERAB9AL3MBTL1NPC1PDE4D
SCHEMBL4701160 0.85 PDE4A (0.72) KDM4ERAB9AL3MBTL1NPC1PDE4D
SCHEMBL4704299 0.84 PDE4A (0.61) KDM4ERAB9AL3MBTL1NPC1PDE4D
SCHEMBL4702655 0.80 PDE4A (1.00) KDM4EL3MBTL1PDE4DPDE4APDE4B
SCHEMBL4699354 0.79 PDE4A (0.70) KDM4ERAB9AL3MBTL1PDE4DPDE4A
SCHEMBL4699784 0.79 PDE4A (0.80) KDM4ERAB9AL3MBTL1NPC1PDE4D
SCHEMBL450642 0.78 PDE4D (0.69) KDM4ERAB9APDE4DPDE4APDE4B

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 4 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
EP-0952832-A1 QUINOLINE CARBOXAMIDES AS TNF INHIBITORS AND AS PDE-IV INHIBITORS Darwin Discovery Limited (GB) 1999-11-03 EP disclosed
WO-1997044036-A1 QUINOLINE CARBOXAMIDES AS TNF INHIBITORS AND AS PDE-IV INHIBITORS DARWIN DISCOVERY LIMITED (GB) 1997-11-27 WO disclosed