SCHEMBL13136362

SCHEMBL13136362

C=CC(=O)OCCOc1ccccc1NC(=O)/C(=N/Nc1ccc(N=O)cc1OC)C(C)=O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.44
ALDH1A1 P00352 4/20 0.44
MAPK1 P28482 1/20 0.44
POLB P06746 2/20 0.37
CASP6 P55212 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
THRB P10828 1/20 0.36
KDM4E B2RXH2 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
RAB9A P51151 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NPC1 O15118 1/20 0.35
KMT2A Q03164 6/20 0.34
MEN1 O00255 5/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.32

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
SCHEMBL12998590 0.90 MAPT (0.48) MAPTALDH1A1MAPK1POLBCASP6
SCHEMBL12998511 0.90 MAPT (0.48) MAPTALDH1A1MAPK1POLBCASP6
SCHEMBL764920 0.87 MAPT (0.49) MAPTALDH1A1MAPK1POLBCASP6
SCHEMBL13135316 0.86 MAPT (0.40) MAPTALDH1A1MAPK1TDP1THRB
SCHEMBL12998507 0.86 GAA (0.47) MAPTALDH1A1MAPK1POLBSMN1; SMN2
SCHEMBL13633270 0.86 GAA (0.43) MAPTALDH1A1MAPK1POLBTHRB
SCHEMBL12329801 0.77 ALDH1A1 (0.53) MAPTALDH1A1MAPK1POLBCASP6
SCHEMBL13707258 0.77 THRB (0.40) MAPTALDH1A1MAPK1POLBCASP6
SCHEMBL12998503 0.77 MAPT (0.46) MAPTALDH1A1MAPK1POLBTDP1
SCHEMBL765365 0.75 MAPT (0.55) MAPTALDH1A1MAPK1POLBCASP6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7812113-B2 Phenylazo-acetoacetanilide derivatives with a polymerizable functional group and related compounds as monomers for preparing polymeric pigment dispersants for inkjet inks AGFA GRAPHICS NV (BE) 2010-10-12 US disclosed