SCHEMBL764209

SCHEMBL764209

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.43
ALDH1A1 P00352 5/20 0.43
MAPK1 P28482 2/20 0.43
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
ATM Q13315 1/20 0.42
KDM4E B2RXH2 2/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
HTT P42858 4/20 0.38
RXFP1 Q9HBX9 1/20 0.38
RAF1 P04049 1/20 0.38
GAA P10253 3/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HPGD P15428 1/20 0.37
LMNA P02545 1/20 0.36

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
SCHEMBL13115119 0.92 ATM (0.52) MAPTALDH1A1MEN1KMT2AATM
SCHEMBL10060616 0.85 MAPT (0.48) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL764915 0.85 MAPT (0.44) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL12998518 0.80 MAPT (0.47) MAPTALDH1A1MEN1KMT2AATM
SCHEMBL765695 0.77 GAA (0.52) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL10060207 0.76 MAPT (0.47) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL15338095 0.76 MAPT (0.61) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL10060125 0.76 KDM4E (0.43) MAPTALDH1A1MAPK1KMT2AATM
SCHEMBL10060122 0.75 MAPT (0.48) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL10060123 0.75 MAPT (0.46) MAPTALDH1A1MAPK1MEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1904583-B1 PIGMENT DISPERSIONS WITH POLYMERIC DISPERSANTS HAVING PENDING CHROMOPHORE GROUPS. AGFA GRAPHICS NV (BE) 2012-03-21 EP disclosed
WO-2007006636-A2 PIGMENT DISPERSIONS WITH POLYMERIC DISPERSANTS HAVING PENDING CHROMOPHORE GROUPS. AGFA GRAPHICS NV (BE) 2007-01-18 WO disclosed
WO-2007006637-A2 PIGMENT DISPERSIONS WITH POLYMERIC DISPERSANTS HAVING PENDING CHROMOPHORE GROUPS. AGFA GRAPHICS NV (BE) 2007-01-18 WO disclosed