SCHEMBL13839766

SCHEMBL13839766

C(=C/c1cc2c3c(c1)CCCN3CCC2)\CSc1ccccc1NCCSSCC[n+]1c(/C=C/c2cc3c4c(c2)CCCN4CCC3)sc2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SNCA P37840 1/20 0.33
▸ MEN1 O00255 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ OPRK1 P41145 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ BLM P54132 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ INSR P06213 7/20 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
SCHEMBL13294127 0.85 SNCA (0.43) SNCAMEN1ALDH1A1POLBPKM
SCHEMBL13171852 0.73 INSR (0.53) SNCAMEN1ALDH1A1POLBPKM
SCHEMBL14454740 0.69 SNCA (0.64) SNCAMEN1POLBHTTKMT2A
SCHEMBL13194374 0.69 SNCA (0.64) SNCAMEN1POLBHTTKMT2A
SCHEMBL13839756 0.69 SNCA (0.34) SNCAINSR
SCHEMBL13839753 0.69 — —
SCHEMBL13294103 0.65 RAD52 (0.31) KMT2A
SCHEMBL10104165 0.65 KMT2A (0.39) MEN1ALDH1A1POLBBLMKMT2A
SCHEMBL10104234 0.62 KMT2A (0.35) MEN1ALDH1A1POLBHTTBLM
SCHEMBL10104215 0.62 KMT2A (0.36) MEN1ALDH1A1POLBBLMKMT2A

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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