SCHEMBL5142533

SCHEMBL5142533

CN(C)c1ccc(C=Cc2cccc[n+]2CCS)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 10/20 0.71
▸ KMT2A Q03164 10/20 0.71
▸ RAB9A P51151 8/20 0.71
▸ NPC1 O15118 6/20 0.71
▸ MAPT P10636 5/20 0.71
▸ HTT P42858 5/20 0.71
▸ SMN1; SMN2 Q16637 4/20 0.71
▸ ALDH1A1 P00352 4/20 0.71
▸ STAT3 P40763 1/20 0.71
▸ KDM4A O75164 4/20 0.70
▸ KDM2A Q9Y2K7 4/20 0.70
▸ GFER P55789 3/20 0.70
▸ APOBEC3A P31941 3/20 0.70
▸ APOBEC3G Q9HC16 3/20 0.70
▸ RELA Q04206 1/20 0.50
▸ LMNA P02545 4/20 0.49
▸ NPSR1 Q6W5P4 4/20 0.49
▸ THRB P10828 3/20 0.49
▸ ALPG P10696 1/20 0.49
▸ GAA P10253 2/20 0.45

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
SCHEMBL5142532 1.00 MEN1 (0.71) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL5142940 0.90 KDM4A (0.80) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL5142943 0.90 KDM4A (0.80) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL14392877 0.87 MEN1 (0.56) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL21005773 0.87 KDM4A (0.81) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL13295574 0.87 KDM4A (0.90) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL4038614 0.85 MEN1 (0.69) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL4038619 0.85 MEN1 (0.69) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL14393491 0.85 MEN1 (0.53) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL3870022 0.84 MEN1 (0.97) MEN1KMT2ARAB9ANPC1MAPT

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-2007110536-A2 DYEING COMPOSITION CONTAINING A THIOL/DISULPHIDE FLUORESCENT COLORANT COMPRISING AN ORTHO-PYRIDINIUM GROUP WITH AN UNINTERRUPTED ALKYLENE CHAIN AND AN INTERNAL CATIONIC CHARGE, AND METHOD FOR LIGHTENING KERATIN MATERIALS USING SAID COLORANT L'ORÉAL (FR) 2007-10-04 — — WO disclosed
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