SCHEMBL12657271

SCHEMBL12657271

CN(CCSSCCN(C)c1ccc(/C=C/c2cc[n+](CCO)cc2)cc1)c1ccc(/C=C/c2ccncc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.44
MAPT P10636 4/20 0.44
KMT2A Q03164 4/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
CASP1 P29466 2/20 0.44
HBB P68871 2/20 0.44
NPC1 O15118 2/20 0.44
ALOX15 P16050 1/20 0.44
KDM4A O75164 4/20 0.40
KDM2A Q9Y2K7 4/20 0.40
CHRM2 P08172 2/20 0.37
CHRM4 P08173 2/20 0.37
CHRM5 P08912 2/20 0.37
CHRM1 P11229 2/20 0.37
CHRM3 P20309 2/20 0.37
CHAT P28329 2/20 0.36
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
USP2 O75604 1/20 0.34

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
SCHEMBL10104036 0.93 KDM4A (0.45) MEN1MAPTKMT2ARAB9ASMN1; SMN2
SCHEMBL19649057 0.81 KDM4A (0.39) MEN1MAPTKMT2ARAB9ASMN1; SMN2
Iodide SCHEMBL7032594 0.81 KDM4A (0.50) MEN1MAPTKMT2ARAB9ASMN1; SMN2
Iodide SCHEMBL7032588 0.81 KDM4A (0.50) MEN1MAPTKMT2ARAB9ASMN1; SMN2
SCHEMBL10104041 0.79 KDM4A (0.47) MEN1MAPTKMT2ARAB9ASMN1; SMN2
SCHEMBL2604929 0.79 NPC1 (0.61) MEN1MAPTKMT2ARAB9ASMN1; SMN2
SCHEMBL10104069 0.79 CHRM2 (0.54) MEN1MAPTKMT2ARAB9ASMN1; SMN2
SCHEMBL10104053 0.77 PTGS1 (0.37) MEN1MAPTKMT2AKDM4AKDM2A
SCHEMBL19904076 0.77 KDM4A (0.33) KDM4AKDM2ACHRM2CHRM4CHRM5
SCHEMBL10104040 0.76 MEN1 (0.58) MEN1MAPTKMT2ARAB9ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2004756-B1 DYEING COMPOSITION COMPRISING A THIOL/DISULPHIDE FLUORESCENT COLORANT HAVING AN EXTERNAL CATIONIC CHARGE, AND METHOD FOR LIGHTENING KERATIN MATERIALS USING SAID COLORANT OREAL (FR) 2011-05-04 EP disclosed
WO-2007110534-A2 DYEING COMPOSITION COMPRISING A THIOL/DISULPHIDE FLUORESCENT COLORANT HAVING AN EXTERNAL CATIONIC CHARGE, AND METHOD FOR LIGHTENING KERATIN MATERIALS USING SAID COLORANT L'ORÉAL (FR) 2007-10-04 WO disclosed