SCHEMBL764920

SCHEMBL764920

COc1cc(N=O)ccc1N/N=C(/C(C)=O)C(=O)Nc1ccccc1OCCO

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.49
ALDH1A1 P00352 3/20 0.49
MAPK1 P28482 1/20 0.49
TDP1 Q9NUW8 2/20 0.42
POLB P06746 1/20 0.42
CASP6 P55212 1/20 0.42
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
KMT2A Q03164 7/20 0.36
MEN1 O00255 6/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.35
LMNA P02545 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
SCHEMBL765365 0.89 MAPT (0.55) MAPTALDH1A1MAPK1TDP1POLB
SCHEMBL12998588 0.89 MAPT (0.55) MAPTALDH1A1MAPK1TDP1POLB
SCHEMBL13136362 0.87 MAPT (0.44) MAPTALDH1A1MAPK1TDP1POLB
SCHEMBL10060616 0.85 MAPT (0.48) MAPTALDH1A1MAPK1TDP1POLB
SCHEMBL764915 0.85 MAPT (0.44) MAPTALDH1A1MAPK1TDP1KDM4E
SCHEMBL765695 0.84 GAA (0.52) MAPTALDH1A1MAPK1TDP1POLB
SCHEMBL12329801 0.82 ALDH1A1 (0.53) MAPTALDH1A1MAPK1TDP1POLB
SCHEMBL15943537 0.81 ALDH1A1 (0.43) MAPTALDH1A1MAPK1TDP1POLB
SCHEMBL10060120 0.81 NPC1 (0.51) MAPTALDH1A1MAPK1TDP1POLB
SCHEMBL15943552 0.80 MAPT (0.49) MAPTALDH1A1MAPK1TDP1POLB

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