SCHEMBL3940341

SCHEMBL3940341

CCCCCCCCOC(=O)CCN1C(=CC=CC=CC=CC2Sc3ccccc3N2CCC[N+](CC)(CC)CC)Sc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDF Q9HBH1 3/20 0.41
▸ MAPT P10636 5/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ HPGD P15428 3/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ BCHE P06276 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ GSK3B P49841 7/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ USP2 O75604 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ CRHBP P24387 2/20 0.33
▸ CRHR2 Q13324 2/20 0.33
▸ IDE P14735 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ DUSP3 P51452 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
SCHEMBL3935749 0.83 MEN1 (0.42) PDFMAPTALDH1A1HPGDL3MBTL1
Bromide SCHEMBL5918808 0.78 PDF (0.37) PDFMAPTALDH1A1HPGDL3MBTL1
SCHEMBL3940338 0.77 MEN1 (0.53) PDFMAPTALDH1A1L3MBTL1HTT
SCHEMBL3940336 0.77 MEN1 (0.53) PDFMAPTALDH1A1L3MBTL1HTT
Bromide SCHEMBL5918803 0.77 MEN1 (0.52) PDFMAPTALDH1A1L3MBTL1HTT
SCHEMBL3934908 0.70 GAA (0.33) PDFMAPTALDH1A1L3MBTL1GSK3B
SCHEMBL19657526 0.68 HPGD (0.46) PDFMAPTALDH1A1HPGDL3MBTL1
SCHEMBL14596669 0.63 MAPT (0.56) PDFMAPTALDH1A1HPGDL3MBTL1
SCHEMBL11117650 0.61 PDF (0.75) PDFMAPTALDH1A1HPGDL3MBTL1
SCHEMBL14271204 0.60 MAPT (0.69) PDFMAPTALDH1A1HPGDL3MBTL1

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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