SCHEMBL3944197

SCHEMBL3944197

C[n+]1c(/C=C2\C=CN(CCC[N+](C)(C)CCC[N+](C)(C)C)c3ccccc32)sc2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.36
▸ HTT P42858 3/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ POLB P06746 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ MCL1 Q07820 1/20 0.36
▸ THRB P10828 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ GAA P10253 1/20 0.32
▸ NR2F2 P24468 1/20 0.32
▸ RAD52 P43351 1/20 0.32
▸ SNCA P37840 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
SCHEMBL3944198 1.00 MAPT (0.36) MAPTHTTSMN1; SMN2MEN1KMT2A
Iodide SCHEMBL5918788 0.99 MAPT (0.38) MAPTHTTSMN1; SMN2MEN1KMT2A
SCHEMBL3786410 0.97 MAPT (0.38) MAPTHTTSMN1; SMN2MEN1KMT2A
Iodide SCHEMBL2682814 0.96 MAPT (0.39) MAPTHTTSMN1; SMN2MEN1KMT2A
SCHEMBL30865825 0.96 MAPT (0.39) MAPTHTTSMN1; SMN2MEN1KMT2A
Iodide SCHEMBL29072731 0.95 MAPT (0.39) MAPTHTTSMN1; SMN2MEN1KMT2A
Iodide SCHEMBL30216122 0.95 MAPT (0.40) MAPTHTTSMN1; SMN2MEN1KMT2A
SCHEMBL13983891 0.94 MAPT (0.36) MAPTHTTSMN1; SMN2MEN1KMT2A
SCHEMBL16865119 0.87 MEN1 (0.33) MAPTHTTSMN1; SMN2MEN1KMT2A
SCHEMBL10023161 0.86 MAPT (0.41) MAPTHTTSMN1; SMN2MEN1KMT2A

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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