SCHEMBL4700871

SCHEMBL4700871

O=C(O)c1ccc(OC(F)F)c2ncccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.57
L3MBTL1 Q9Y468 3/20 0.57
KDM4A O75164 2/20 0.57
EGLN1 Q9GZT9 2/20 0.57
KDM6B O15054 1/20 0.57
KDM6A O15550 1/20 0.57
TET3 O43151 1/20 0.57
KDM4B O94953 1/20 0.57
KDM5C P41229 1/20 0.57
KDM4D Q6B0I6 1/20 0.57
TET2 Q6N021 1/20 0.57
ALKBH5 Q6P6C2 1/20 0.57
TET1 Q8NFU7 1/20 0.57
FTO Q9C0B1 1/20 0.57
KDM4C Q9H3R0 1/20 0.57
KDM2A Q9Y2K7 1/20 0.57
KDM3A Q9Y4C1 1/20 0.57
RAB9A P51151 2/20 0.47
HIF1AN Q9NWT6 1/20 0.47
PSMD14 O00487 1/20 0.44

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
SCHEMBL4700662 0.87 KDM4E (0.47) KDM4EL3MBTL1KDM4AEGLN1KDM6B
SCHEMBL30744931 0.86 KDM4E (0.57) KDM4EL3MBTL1KDM4AEGLN1KDM6B
SCHEMBL6068261 0.85 KDM4E (0.68) KDM4EL3MBTL1KDM4AEGLN1KDM6B
SCHEMBL6956143 0.83 KDM4E (0.45) KDM4EL3MBTL1RAB9APDE4APDE4B
SCHEMBL4022814 0.81 PDE4A (0.64) KDM4EL3MBTL1KDM4AEGLN1KDM6B
Hydrochloric Acid SCHEMBL6984422 0.79 PDE4A (0.62) KDM4EL3MBTL1KDM4AEGLN1KDM6B
Ethane SCHEMBL27474713 0.79 PDE4A (0.62) KDM4EL3MBTL1KDM4AEGLN1KDM6B
SCHEMBL23489313 0.78 KDM4E (0.75) KDM4EL3MBTL1KDM4AEGLN1KDM6B
SCHEMBL69673 0.78 KDM4E (0.77) KDM4EL3MBTL1KDM4AEGLN1KDM6B
SCHEMBL6068174 0.78 KDM4E (0.62) KDM4EL3MBTL1KDM4AEGLN1KDM6B

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 8 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
US-7030063-B1 Cyclohexenonquinolinoyl-derivatives as herbicidal agents BASF AKTIENGESELLSCHAFT (DE) 2006-04-18 US disclosed
CN-1148189-C Quinoline carboxamides as TNF inhibitors and as PDC-IV inhibitors ������������� 2004-05-05 CN disclosed
EP-1112256-B1 CYCLOHEXENONQUINOLINOYL-DERIVATIVES AS HERBICIDAL AGENTS BASF AG (DE) 2003-10-29 EP disclosed
EP-1112256-A1 CYCLOHEXENONQUINOLINOYL-DERIVATIVES AS HERBICIDAL AGENTS BASF AKTIENGESELLSCHAFT (DE) 2001-07-04 EP disclosed
WO-2000014069-A1 CYCLOHEXENONQUINOLINOYL-DERIVATIVES AS HERBICIDAL AGENTS BASF AKTIENGESELLSCHAFT (DE) 2000-03-16 WO 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