SCHEMBL13808735

SCHEMBL13808735

COCCNc1ccc(/N=C2\C=C(C)C(=O)C=C2NCCO)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MALT1 Q9UDY8 1/20 0.41
▸ MAPT P10636 2/20 0.32
▸ TP53 P04637 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CASP1 P29466 1/20 0.32
▸ BLM P54132 1/20 0.32
▸ CASP7 P55210 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ CFTR P13569 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ APAF1 O14727 1/20 0.30
▸ TDP2 O95551 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ THRB P10828 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ CASP6 P55212 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL12997219 0.84 TP53 (0.32) MALT1MAPTTP53CYP3A4CASP1
SCHEMBL12997465 0.83 KCNH2 (0.34) MALT1MAPTTP53CYP3A4CASP1
SCHEMBL12997452 0.83 S100A4 (0.35) MAPTTP53CYP3A4CASP1BLM
SCHEMBL13808755 0.83 CYP1A2 (0.32) MAPTTP53CYP3A4CASP1BLM
SCHEMBL4010569 0.82 TP53 (0.36) MALT1MAPTTP53CYP3A4CASP1
SCHEMBL3478159 0.82 TP53 (0.31) MAPTTP53CYP3A4CASP1BLM
SCHEMBL13022278 0.82 TP53 (0.31) MAPTTP53CYP3A4CASP1BLM
SCHEMBL13020957 0.82 TP53 (0.31) MAPTTP53CYP3A4CASP1BLM
SCHEMBL4001393 0.81 TP53 (0.36) MALT1MAPTTP53CYP3A4CASP1
SCHEMBL4001397 0.81 TP53 (0.36) MALT1MAPTTP53CYP3A4CASP1

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
WO-2009077394-A1 AZOMETHINE DIRECT DYES OR REDUCED PRECURSORS OF THESE DYES OBTAINED FROM 5-(2-HYDROXYETHYLAMINO)-2-METHYLPHENOL, AND DYEING PROCESS USING THESE DYES AND PRECURSORS L'OREAL (FR) 2009-06-25 — — WO disclosed
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