SCHEMBL4001397

SCHEMBL4001397

CC1=CC(=Nc2ccc(N)cc2)C(NCCO)=CC1=O

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ CASP7 P55210 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ PABPC1 P11940 1/20 0.33
▸ MALT1 Q9UDY8 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
SCHEMBL13808731 1.00 TP53 (0.36) TP53CYP3A4MAPTCASP1BLM
SCHEMBL4001393 1.00 TP53 (0.36) TP53CYP3A4MAPTCASP1BLM
SCHEMBL4010569 0.88 TP53 (0.36) TP53CYP3A4MAPTCASP1BLM
SCHEMBL4007164 0.88 TP53 (0.34) TP53CYP3A4MAPTCASP1BLM
SCHEMBL4007165 0.88 TP53 (0.34) TP53CYP3A4MAPTCASP1BLM
SCHEMBL4003863 0.84 PABPC1 (0.39) TP53CYP3A4MAPTCASP1BLM
SCHEMBL13808911 0.84 PABPC1 (0.39) TP53CYP3A4MAPTCASP1BLM
SCHEMBL13808736 0.84 TP53 (0.33) TP53CYP3A4MAPTCASP1BLM
SCHEMBL15019811 0.82 DNM1 (0.40) TP53CYP3A4MAPTCASP1BLM
SCHEMBL15039541 0.82 DNM1 (0.40) TP53CYP3A4MAPTCASP1BLM

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
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
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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