SCHEMBL14392869

SCHEMBL14392869

CN1CCCc2cc(/C=C/c3cc[n+](CCS)cc3)ccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ GAA P10253 1/20 0.54
▸ MAPT P10636 1/20 0.54
▸ HPGD P15428 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ SRD5A1 P18405 2/20 0.34
▸ PRKAB2 O43741 1/20 0.32
▸ PRKAG1 P54619 1/20 0.32
▸ PRKAA2 P54646 1/20 0.32
▸ PRKAA1 Q13131 1/20 0.32
▸ PRKAG3 Q9UGI9 1/20 0.32
▸ PRKAG2 Q9UGJ0 1/20 0.32
▸ PRKAB1 Q9Y478 1/20 0.32
▸ ACHE P22303 1/20 0.32
▸ WDR5 P61964 1/20 0.32
▸ KDM4A O75164 1/20 0.30
▸ KDM2A Q9Y2K7 1/20 0.30
▸ HRH3 Q9Y5N1 1/20 0.30
▸ KCNH2 Q12809 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
SCHEMBL14392868 0.93 MAPT (0.44) ALDH1A1MEN1GAAMAPTHPGD
SCHEMBL14392870 0.92 ALDH1A1 (0.51) ALDH1A1MEN1GAAMAPTHPGD
SCHEMBL10104189 0.88 ALDH1A1 (0.54) ALDH1A1MEN1GAAMAPTHPGD
SCHEMBL10104179 0.80 MAPT (0.44) ALDH1A1MEN1GAAMAPTHPGD
SCHEMBL5143030 0.77 GRM5 (0.44) ALDH1A1MAPT
SCHEMBL5143029 0.77 GRM5 (0.44) ALDH1A1MAPT
SCHEMBL14392935 0.77 KMT2A (0.40) ALDH1A1MEN1GAAMAPTHPGD
SCHEMBL13695034 0.76 ALDH1A1 (0.42) ALDH1A1MEN1GAAMAPTHPGD
SCHEMBL14392932 0.74 MEN1 (0.40) ALDH1A1MEN1GAAMAPTHPGD
SCHEMBL25216589 0.72 ALDH1A1 (0.73) ALDH1A1MEN1GAAMAPTHPGD

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007110541-A2 DYEING COMPOSITION CONTAINING A THIOL/DISULPHIDE FLUORESCENT COLORANT COMPRISING A CONDENSED CYCLE, WITH AN INTERNAL CATIONIC CHARGE, AND METHOD FOR LIGHTENING KERATIN MATERIALS USING SAID COLORANT L'OREAL (FR) 2007-10-04 — — WO disclosed
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