SCHEMBL13808756

SCHEMBL13808756

CC1=CC(=Nc2ccc(N(CCC[N+](C)(C)C)CCC[N+](C)(C)C)cc2)C(NCCO)=CC1=O

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PABPC1 P11940 1/20 0.34
▸ TP53 P04637 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ CASP1 P29466 1/20 0.30
▸ BLM P54132 1/20 0.30
▸ CASP7 P55210 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL4003863 0.88 PABPC1 (0.39) PABPC1TP53CYP3A4MAPTCASP1
SCHEMBL13808911 0.88 PABPC1 (0.39) PABPC1TP53CYP3A4MAPTCASP1
SCHEMBL13808755 0.85 CYP1A2 (0.32) TP53CYP3A4MAPTCASP1BLM
SCHEMBL13808907 0.83 KMT2A (0.39) PABPC1TP53CYP3A4MAPTCASP1
SCHEMBL4007335 0.80 PABPC1 (0.36) PABPC1TP53CYP3A4MAPTCASP1
SCHEMBL13808905 0.80 PABPC1 (0.36) PABPC1TP53CYP3A4MAPTCASP1
SCHEMBL4010569 0.79 TP53 (0.36) PABPC1TP53CYP3A4MAPTCASP1
SCHEMBL4001393 0.78 TP53 (0.36) PABPC1TP53CYP3A4MAPTCASP1
SCHEMBL4001397 0.78 TP53 (0.36) PABPC1TP53CYP3A4MAPTCASP1
SCHEMBL13808731 0.78 TP53 (0.36) PABPC1TP53CYP3A4MAPTCASP1

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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