SCHEMBL764915

SCHEMBL764915

COc1cc(N=O)ccc1N/N=C(/C(C)=O)C(=O)Nc1ccc(OCCO)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.44
ALDH1A1 P00352 8/20 0.44
MAPK1 P28482 2/20 0.44
RAB9A P51151 4/20 0.42
KDM4E B2RXH2 3/20 0.42
NPC1 O15118 2/20 0.42
HPGD P15428 3/20 0.38
KMT2A Q03164 5/20 0.37
MEN1 O00255 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 2/20 0.37
TP53 P04637 1/20 0.37
GAA P10253 1/20 0.37
SERPINE1 P05121 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL13135316 0.87 MAPT (0.40) MAPTALDH1A1MAPK1RAB9AKDM4E
SCHEMBL764209 0.85 MAPT (0.43) MAPTALDH1A1MAPK1RAB9AKDM4E
SCHEMBL764920 0.85 MAPT (0.49) MAPTALDH1A1MAPK1RAB9AKDM4E
SCHEMBL13115119 0.84 ATM (0.52) MAPTALDH1A1KDM4EKMT2AMEN1
SCHEMBL12329800 0.83 MAPT (0.51) MAPTALDH1A1MAPK1RAB9AKDM4E
SCHEMBL10060207 0.78 MAPT (0.47) MAPTALDH1A1MAPK1RAB9AKDM4E
SCHEMBL15338095 0.77 MAPT (0.61) MAPTALDH1A1MAPK1RAB9AKDM4E
SCHEMBL10060125 0.77 KDM4E (0.43) MAPTALDH1A1MAPK1RAB9AKDM4E
SCHEMBL10060123 0.77 MAPT (0.46) MAPTALDH1A1MAPK1RAB9AKDM4E
SCHEMBL10060122 0.77 MAPT (0.48) MAPTALDH1A1MAPK1RAB9AKDM4E

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-1904582-B1 PIGMENT DISPERSIONS WITH POLYMERIC DISPERSANTS HAVING PENDING CHROMOPHORE GROUPS AGFA GRAPHICS NV (BE) 2014-08-13 EP disclosed
EP-1904585-B1 PIGMENT DISPERSIONS WITH POLYMERIC DISPERSANTS HAVING PENDING CHROMOPHORE GROUPS AGFA GRAPHICS NV (BE) 2013-10-23 EP disclosed
EP-1904580-B1 PIGMENT DISPERSIONS WITH POYMERIC DISPERSANTS HAVING PENDING CHROMOPHORE GROUPS AGFA GRAPHICS NV (BE) 2013-10-16 EP disclosed
EP-1904583-B1 PIGMENT DISPERSIONS WITH POLYMERIC DISPERSANTS HAVING PENDING CHROMOPHORE GROUPS. AGFA GRAPHICS NV (BE) 2012-03-21 EP disclosed