SCHEMBL3935897

SCHEMBL3935897

CCC(/C=C1\Sc2ccc(C)cc2N1CCCS(=O)(=O)O)=C\c1sc2ccc(C)cc2[n+]1CCC[N+](C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.53
▸ MEN1 O00255 5/20 0.53
▸ KMT2A Q03164 5/20 0.53
▸ THRB P10828 5/20 0.53
▸ RECQL P46063 5/20 0.53
▸ BLM P54132 3/20 0.53
▸ ALDH1A1 P00352 3/20 0.52
▸ POLB P06746 3/20 0.52
▸ PKM P14618 2/20 0.52
▸ MAPK1 P28482 2/20 0.52
▸ HTT P42858 2/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ NPSR1 Q6W5P4 2/20 0.52
▸ TDP1 Q9NUW8 2/20 0.52
▸ L3MBTL1 Q9Y468 2/20 0.52
▸ LMNA P02545 1/20 0.52
▸ RAD52 P43351 1/20 0.52
▸ SNCA P37840 1/20 0.41
▸ PRMT1 Q99873 2/20 0.41
▸ PRMT5 O14744 1/20 0.41

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
SCHEMBL3935905 1.00 MAPT (0.53) MAPTMEN1KMT2ATHRBRECQL
Bromide SCHEMBL5918627 0.99 MEN1 (0.52) MAPTMEN1KMT2ATHRBRECQL
SCHEMBL14002178 0.94 MAPT (0.57) MAPTMEN1KMT2ATHRBRECQL
Water SCHEMBL11421550 0.93 MAPT (0.56) MAPTMEN1KMT2ATHRBRECQL
SCHEMBL11126768 0.91 MEN1 (0.54) MAPTMEN1KMT2ATHRBRECQL
SCHEMBL14349142 0.86 MAPT (0.51) MAPTMEN1KMT2ATHRBRECQL
SCHEMBL13751358 0.85 MEN1 (0.57) MAPTMEN1KMT2ATHRBRECQL
SCHEMBL13751364 0.84 MEN1 (0.56) MAPTMEN1KMT2ATHRBRECQL
SCHEMBL8943182 0.84 MAPT (0.56) MAPTMEN1KMT2ATHRBRECQL
SCHEMBL13588290 0.84 MAPT (0.56) MAPTMEN1KMT2ATHRBRECQL

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
EP-1609459-B1 Use of polycationic compounds for dyeing keratinous fibers OREAL (FR) 2009-04-08 — — EP disclosed
EP-1609459-A1 Use of polycationic compounds for dyeing keratinous fibers L'OREAL (FR) 2005-12-28 — — EP disclosed
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