SCHEMBL4003863

SCHEMBL4003863

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PABPC1 P11940 1/20 0.39
▸ TDP1 Q9NUW8 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ MAPT P10636 3/20 0.34
▸ BLM P54132 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ CASP7 P55210 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ KMT2A Q03164 3/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ PSMD14 O00487 1/20 0.32
▸ MITF O75030 1/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ GAA P10253 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MALT1 Q9UDY8 1/20 0.31

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
SCHEMBL13808911 1.00 PABPC1 (0.39) PABPC1TDP1ALDH1A1TSHRMAPT
SCHEMBL13808907 0.94 KMT2A (0.39) PABPC1TDP1ALDH1A1TSHRMAPT
SCHEMBL13808756 0.88 PABPC1 (0.34) PABPC1MAPTBLMTP53CYP3A4
SCHEMBL4007335 0.86 PABPC1 (0.36) PABPC1TDP1ALDH1A1MAPTBLM
SCHEMBL13808905 0.86 PABPC1 (0.36) PABPC1TDP1ALDH1A1MAPTBLM
SCHEMBL4010569 0.85 TP53 (0.36) PABPC1ALDH1A1MAPTBLMTP53
SCHEMBL11629876 0.85 PABPC1 (0.43) PABPC1TDP1ALDH1A1MAPTBLM
SCHEMBL4001393 0.84 TP53 (0.36) PABPC1MAPTBLMTP53CYP3A4
SCHEMBL4001397 0.84 TP53 (0.36) PABPC1MAPTBLMTP53CYP3A4
SCHEMBL13808731 0.84 TP53 (0.36) PABPC1MAPTBLMTP53CYP3A4

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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