SCHEMBL7362663

SCHEMBL7362663

COC(=O)c1ccc2cccc(O)c2n1.O=C(O)c1ccc2cccc(O)c2n1

nearest known ligand 0.77

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.77
KMT2A Q03164 2/20 0.77
PIM1 P11309 1/20 0.56
PDE4D Q08499 2/20 0.52
MMP2 P08253 2/20 0.51
METAP2 P50579 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MGAM O43451 1/20 0.42

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
SCHEMBL847651 0.94 KDM4E (0.65) KDM4EKMT2APIM1PDE4DMETAP2
SCHEMBL11121278 0.89 KDM4E (0.90) KDM4EKMT2APIM1PDE4DMMP2
SCHEMBL171491 0.87 KDM4E (1.00) KDM4EKMT2APIM1PDE4DMMP2
SCHEMBL29697210 0.87 KDM4E (1.00) KDM4EKMT2APIM1PDE4DMMP2
SCHEMBL29932233 0.86 KDM4E (0.96) KDM4EKMT2APIM1PDE4DMMP2
SCHEMBL28949889 0.86 KDM4E (0.96) KDM4EKMT2APIM1PDE4DMMP2
SCHEMBL27688602 0.86 KDM4E (0.96) KDM4EKMT2APIM1PDE4DMMP2
SCHEMBL28228512 0.86 KDM4E (0.96) KDM4EKMT2APIM1PDE4DMMP2
SCHEMBL7362665 0.85 KMT2A (0.54) KDM4EKMT2APIM1PDE4DMETAP2
SCHEMBL2059128 0.81 KDM4E (0.87) KDM4EKMT2APIM1PDE4DMMP2

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-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