SCHEMBL3935907

SCHEMBL3935907

CCC(=CC1Sc2ccc(C)cc2N1CCC[N+](C)(C)C)C=C1Sc2ccc(C)cc2N1CCCS(=O)(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ DUSP3 P51452 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ SNCA P37840 1/20 0.35
▸ HSD17B10 Q99714 2/20 0.33
▸ MAPT P10636 5/20 0.31
▸ POLB P06746 2/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ MMP13 P45452 1/20 0.31
▸ CLK1 P49759 2/20 0.30
▸ DYRK1A Q13627 2/20 0.30
▸ PDF Q9HBH1 2/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ NPSR1 Q6W5P4 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
Bromide SCHEMBL5918629 0.99 HPGD (0.36) HPGDCYP2C9KDM4EDUSP3L3MBTL1
SCHEMBL13763557 0.80 MAPT (0.39) HPGDKDM4EL3MBTL1SNCAHSD17B10
SCHEMBL3935905 0.76 MAPT (0.53) HPGDCYP2C9KDM4EDUSP3L3MBTL1
SCHEMBL3935897 0.76 MAPT (0.53) HPGDCYP2C9KDM4EDUSP3L3MBTL1
Bromide SCHEMBL5918627 0.75 MEN1 (0.52) HPGDCYP2C9KDM4EDUSP3L3MBTL1
SCHEMBL3945055 0.74 ALDH1A1 (0.35) HPGDKDM4ESNCAHSD17B10MAPT
SCHEMBL13763560 0.74 MAPT (0.35) HPGDKDM4EL3MBTL1HSD17B10MAPT
SCHEMBL10036144 0.73 MAPT (0.41) KDM4EL3MBTL1MAPTPOLBCYP2C19
SCHEMBL13092568 0.72 MAPT (0.56) HPGDCYP2C9KDM4EDUSP3L3MBTL1
SCHEMBL5694880 0.71 MAPT (0.45) CYP2C9KDM4EL3MBTL1MAPTPOLB

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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