SCHEMBL13839769

SCHEMBL13839769

CC(=O)SCCN(C)c1ccc(/C=C/c2n(C)cc[n+]2C)cc1

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ ALPG P10696 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ GFER P55789 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ HSD17B3 P37058 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
SCHEMBL13294086 0.86 MEN1 (0.36) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL13043729 0.82 KMT2A (0.50) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL3838342 0.79 MEN1 (0.39) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL3838343 0.79 MEN1 (0.39) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL13154494 0.76 MMP14 (0.35) MEN1KMT2AMAPT
SCHEMBL3294210 0.75 MEN1 (0.40) MEN1KMT2ALMNAMAPTTHRB
SCHEMBL3294198 0.74 MEN1 (0.43) MEN1KMT2ALMNAMAPTTHRB
SCHEMBL3294204 0.74 MEN1 (0.43) MEN1KMT2ALMNAMAPTTHRB
SCHEMBL12657326 0.73 ALDH1A1 (0.47) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL12869238 0.72 KMT2A (0.49) MEN1KMT2AALDH1A1LMNAMAPT

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
EP-2062945-A2 Hemicyanin styryl thiol/disulfide dye, dye composition comprising this dye, process for lightening keratin materials using this dye L'Oréal (FR) 2009-05-27 — — EP disclosed
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