SCHEMBL3943875

SCHEMBL3943875

CN1c2ccccc2SC1C=C1C=CN(CCCC[N+](C)(C)C)C=C1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.30
▸ RAB9A P51151 2/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ MITF O75030 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ L3MBTL1 Q9Y468 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
SCHEMBL3933407 0.97 — —
SCHEMBL3932562 0.84 — —
SCHEMBL3935367 0.83 — —
SCHEMBL3939856 0.82 — —
Acetic Acid SCHEMBL5918747 0.78 — —
SCHEMBL3944200 0.72 THRB (0.38) MEN1ALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL3933888 0.71 — —
SCHEMBL3933883 0.71 — —
SCHEMBL3934908 0.67 GAA (0.33) NPC1RAB9AMEN1ALDH1A1MAPT
Acetic Acid SCHEMBL5918834 0.67 — —

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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