SCHEMBL1838784

SCHEMBL1838784

O=C(O)C(C(=O)O)c1ccc(Cl)c2cccnc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.54
HSP90AA1 P07900 4/20 0.54
MAPT P10636 3/20 0.54
LMNA P02545 2/20 0.54
BRD4 O60885 1/20 0.54
METAP2 P50579 1/20 0.54
METAP1 P53582 1/20 0.54
ALOX12 P18054 4/20 0.51
CYP3A4 P08684 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
L3MBTL1 Q9Y468 3/20 0.48
GAA P10253 1/20 0.48
ALDH1A1 P00352 4/20 0.48
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
NCOA3 Q9Y6Q9 2/20 0.46
HTT P42858 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
PKM P14618 1/20 0.46

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
SCHEMBL1837396 0.86 KDM4E (0.53) KDM4EHSP90AA1MAPTLMNABRD4
SCHEMBL15822961 0.85 KDM4E (0.52) KDM4EHSP90AA1MAPTLMNABRD4
SCHEMBL6903273 0.80 KDM4E (0.51) KDM4EHSP90AA1MAPTLMNABRD4
SCHEMBL1831197 0.80 KDM5A (0.35) KDM4EHSP90AA1MAPTLMNABRD4
SCHEMBL27588126 0.78 KDM4E (0.49) KDM4EHSP90AA1MAPTLMNABRD4
SCHEMBL28505844 0.78 KDM4E (0.58) KDM4EHSP90AA1MAPTLMNABRD4
SCHEMBL6899249 0.77 KDM4E (0.45) KDM4EHSP90AA1MAPTLMNABRD4
SCHEMBL6904223 0.77 KDM4E (0.51) KDM4EHSP90AA1MAPTLMNABRD4
SCHEMBL12533363 0.77 KDM4E (0.56) KDM4EHSP90AA1MAPTLMNABRD4
SCHEMBL28507152 0.76 KDM4E (0.59) KDM4EHSP90AA1MAPTLMNABRD4

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-1943218-B1 ALKOXYALKYL SPIROCYCLIC TETRAMIC ACIDS AND TETRONIC ACIDS BAYER IP GMBH (DE) 2015-05-06 EP claimed
EP-1966135-B1 3'-ALKOXY-SPIROCYCLOPENTYL-SUBSTITUTED TETRAMIC AND TETRONIC ACIDS BAYER CROPSCIENCE AG (DE) 2013-10-09 EP claimed
EP-1761490-B1 3'-ALKOXY SPIROCYCLIC TETRAMIC AND TETRONIC ACIDS BAYER CROPSCIENCE AG (DE) 2011-09-07 EP claimed
EP-1606254-B1 2,4,6-PHENYL SUBSTITUTED CYCLIC KETOENOLS BAYER CROPSCIENCE AG (DE) 2011-05-11 EP claimed