SCHEMBL3934908

SCHEMBL3934908

CCCCCCCCCCCCCCCCN1c2ccccc2SC1C=CC=C1C=CN(CCC[N+](CC)(CC)CC)C=C1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ MITF O75030 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ MEN1 O00255 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ PDF Q9HBH1 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ GSK3B P49841 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
SCHEMBL3932621 0.82 PDF (0.48) NPC1RAB9AL3MBTL1MEN1MAPT
SCHEMBL3943958 0.76 KMT2A (0.35) GAANPC1RAB9AL3MBTL1MEN1
SCHEMBL3935749 0.72 MEN1 (0.42) GAANPC1RAB9AL3MBTL1MEN1
SCHEMBL3940341 0.70 PDF (0.41) L3MBTL1MEN1MAPTKMT2ALMNA
SCHEMBL3933407 0.68 — —
SCHEMBL3934901 0.67 INSR (0.48) NPC1RAB9AL3MBTL1MEN1KMT2A
SCHEMBL3934905 0.67 INSR (0.48) NPC1RAB9AL3MBTL1MEN1KMT2A
SCHEMBL3943875 0.67 NPC1 (0.30) GAANPC1RAB9AMITFL3MBTL1
SCHEMBL3937804 0.66 PRMT1 (0.36) GAANPC1RAB9AL3MBTL1MEN1
SCHEMBL5918814 0.66 NPC1 (0.32) GAANPC1RAB9AMITFL3MBTL1

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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