SCHEMBL2310352

SCHEMBL2310352

CNCCCN(C)c1ccc(/C=C/c2cc[n+](C)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
ALDH1A1 P00352 4/20 0.54
MAPT P10636 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
HTT P42858 2/20 0.54
LMNA P02545 1/20 0.54
ALPG P10696 1/20 0.54
THRB P10828 1/20 0.54
GFER P55789 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
RAB9A P51151 4/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
CHAT P28329 5/20 0.41
KDM4A O75164 5/20 0.40
KDM2A Q9Y2K7 5/20 0.40
GAA P10253 1/20 0.40
CASP1 P29466 1/20 0.40

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
SCHEMBL2310359 1.00 MEN1 (0.54) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL13645972 0.86 MEN1 (0.62) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL12657340 0.86 KDM4A (0.47) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL13645967 0.85 MEN1 (0.68) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
Iodide SCHEMBL27637953 0.81 MEN1 (0.59) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL13417479 0.81 KDM4A (0.57) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
Iodide SCHEMBL7032870 0.81 MEN1 (0.63) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
Iodide SCHEMBL7032875 0.81 MEN1 (0.63) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL12657105 0.80 MEN1 (0.64) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL1827814 0.79 MEN1 (0.60) 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