SCHEMBL4701799

SCHEMBL4701799

COc1c(F)cc(C(=O)O)c2cccnc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.51
KDM4A O75164 2/20 0.49
EGLN1 Q9GZT9 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
KDM6B O15054 1/20 0.49
KDM6A O15550 1/20 0.49
TET3 O43151 1/20 0.49
KDM4B O94953 1/20 0.49
KDM5C P41229 1/20 0.49
KDM4D Q6B0I6 1/20 0.49
TET2 Q6N021 1/20 0.49
ALKBH5 Q6P6C2 1/20 0.49
TET1 Q8NFU7 1/20 0.49
FTO Q9C0B1 1/20 0.49
KDM4C Q9H3R0 1/20 0.49
KDM2A Q9Y2K7 1/20 0.49
KDM3A Q9Y4C1 1/20 0.49
NAPRT Q6XQN6 1/20 0.44
PDE10A Q9Y233 1/20 0.43
DHODH Q02127 5/20 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
SCHEMBL4700756 0.88 KDM4E (0.44) KDM4EKDM4AEGLN1L3MBTL1KDM6B
SCHEMBL13255537 0.78 KDM4E (0.58) KDM4EKDM4AEGLN1L3MBTL1KDM6B
SCHEMBL4698503 0.77 PDE4D (0.67) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL622498 0.77 KDM4E (0.49) KDM4EL3MBTL1RAB9AHTTNPC1
SCHEMBL13255421 0.76 DHODH (0.52) KDM4EKDM4AEGLN1L3MBTL1KDM6B
Bromide SCHEMBL7367912 0.75 KDM4E (0.47) KDM4EL3MBTL1RAB9AHTTNPC1
SCHEMBL23725371 0.75 HIF1A (0.48) KDM4EKDM4AEGLN1L3MBTL1KDM6B
SCHEMBL4033083 0.74 KDM4E (0.68) KDM4EKDM4AEGLN1L3MBTL1KDM6B
SCHEMBL10156188 0.74 KDM4E (0.42) KDM4EL3MBTL1RAB9AHTTNPC1
SCHEMBL10156194 0.74 MAPT (0.43) KDM4EL3MBTL1RAB9AHTTNPC1

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 6 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 disclosed
CN-1148189-C Quinoline carboxamides as TNF inhibitors and as PDC-IV inhibitors ������������� 2004-05-05 CN disclosed
EP-0952832-A1 QUINOLINE CARBOXAMIDES AS TNF INHIBITORS AND AS PDE-IV INHIBITORS Darwin Discovery Limited (GB) 1999-11-03 EP disclosed
CN-1219131-A Quinoline carboxamides as TNF inhibitors and as PDC-IV inhibitors DARWIN DISCOVERY CO LTD (GB) 1999-06-09 CN disclosed
US-5804588-A TREATING DISEASES THAT ARE MODULATED BY INHIBITION OF PHOSPHODIESTERASE IV OR TUMOUR NECROSIS FACTOR CHIROSCIENCE LIMITED (GB) 1998-09-08 US disclosed
WO-1997044036-A1 QUINOLINE CARBOXAMIDES AS TNF INHIBITORS AND AS PDE-IV INHIBITORS DARWIN DISCOVERY LIMITED (GB) 1997-11-27 WO disclosed