SCHEMBL13808907

SCHEMBL13808907

CCN(CCO)c1ccc(/N=C2/C=C(C)C(=O)C=C2NCCO)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.39
▸ MAPT P10636 3/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ PSMD14 O00487 1/20 0.39
▸ MITF O75030 1/20 0.39
▸ MEN1 O00255 4/20 0.38
▸ GAA P10253 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ PABPC1 P11940 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.34
▸ THRB P10828 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ TSHR P16473 1/20 0.33
▸ GFER P55789 1/20 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

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 0.94 PABPC1 (0.39) KMT2AMAPTNPC1RAB9APSMD14
SCHEMBL13808911 0.94 PABPC1 (0.39) KMT2AMAPTNPC1RAB9APSMD14
SCHEMBL13808905 0.89 PABPC1 (0.36) KMT2AMAPTNPC1RAB9APSMD14
SCHEMBL4007335 0.89 PABPC1 (0.36) KMT2AMAPTNPC1RAB9APSMD14
SCHEMBL13808757 0.83 KDM4E (0.33) KMT2ANPC1RAB9AMEN1GAA
SCHEMBL13808756 0.83 PABPC1 (0.34) MAPTPABPC1TP53CYP3A4CASP1
SCHEMBL4010569 0.82 TP53 (0.36) MAPTGAAKDM4EPABPC1ALDH1A1
SCHEMBL4010574 0.82 TP53 (0.36) MAPTGAAKDM4EPABPC1ALDH1A1
SCHEMBL12997465 0.81 KCNH2 (0.34) KMT2AMAPTPABPC1ALDH1A1THRB
SCHEMBL4001393 0.81 TP53 (0.36) MAPTPABPC1TP53CYP3A4CASP1

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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