SCHEMBL2314858

SCHEMBL2314858

CN(CCCN(C)c1ccc(C=Cc2cc[n+](C)cc2)cc1)C(=O)CCSSCCC(=O)N(C)CCCN(C)c1ccc(/C=C/c2cc[n+](C)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
ALDH1A1 P00352 4/20 0.45
MAPT P10636 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
HTT P42858 2/20 0.45
LMNA P02545 1/20 0.45
ALPG P10696 1/20 0.45
THRB P10828 1/20 0.45
GFER P55789 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
RAB9A P51151 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
CHAT P28329 3/20 0.34
KDM4A O75164 3/20 0.34
KDM2A Q9Y2K7 3/20 0.34
GAA P10253 1/20 0.33
CASP1 P29466 1/20 0.33

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
SCHEMBL2314863 1.00 MEN1 (0.45) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL2314853 1.00 MEN1 (0.45) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL10104115 0.95 KMT2A (0.43) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL10104120 0.89 MEN1 (0.46) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL2312754 0.88 MEN1 (0.45) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL2312760 0.88 MEN1 (0.45) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL19649064 0.87 MEN1 (0.36) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL14393050 0.86 MEN1 (0.34) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL12432009 0.86 MEN1 (0.45) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL16070319 0.83 MEN1 (0.33) MEN1KMT2AALDH1A1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2004755-B1 DYEING COMPOSITION CONTAINING A THIOL/DISULPHIDE FLUORESCENT COLORANT HAVING AN EXTERNAL CATIONIC CHARGE AND AN INTERRUPTED ALKYLENE CHAIN, AND METHOD FOR LIGHTENING KERATIN MATERIALS USING SAID COLORANT OREAL (FR) 2011-08-03 EP disclosed
EP-2004755-A2 DYEING COMPOSITION CONTAINING A THIOL/DISULPHIDE FLUORESCENT COLORANT HAVING AN EXTERNAL CATIONIC CHARGE AND AN INTERRUPTED ALKYLENE CHAIN, AND METHOD FOR LIGHTENING KERATIN MATERIALS USING SAID COLORANT L'Oréal (FR) 2008-12-24 EP disclosed
WO-2007110533-A2 DYEING COMPOSITION CONTAINING A THIOL/DISULPHIDE FLUORESCENT COLORANT HAVING AN EXTERNAL CATIONIC CHARGE AND AN INTERRUPTED ALKYLENE CHAIN, AND METHOD FOR LIGHTENING KERATIN MATERIALS USING SAID COLORANT L'ORÉAL (FR) 2007-10-04 WO disclosed