SCHEMBL16070569

SCHEMBL16070569

CC[N+]1=CC=CC1C/C=C/c1ccc(N(CCSSCCN(Cc2ccccc2)c2ccc(/C=C/c3cccc[n+]3CC)cc2)Cc2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
STAT3 P40763 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4A O75164 2/20 0.35
KDM2A Q9Y2K7 2/20 0.35
KDM4E B2RXH2 1/20 0.34
APOBEC3A P31941 1/20 0.33
GFER P55789 1/20 0.33
APOBEC3G Q9HC16 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
SCHEMBL10104082 0.85 KMT2A (0.58) MEN1NPC1RAB9AKMT2AALDH1A1
SCHEMBL10104089 0.79 KMT2A (0.55) MEN1NPC1RAB9AKMT2AALDH1A1
SCHEMBL12215952 0.79 KMT2A (0.57) MEN1NPC1RAB9AKMT2AALDH1A1
SCHEMBL16070375 0.76 KMT2A (0.47) MEN1NPC1RAB9AKMT2AALDH1A1
SCHEMBL10104070 0.75 MEN1 (0.63) MEN1NPC1RAB9AKMT2AALDH1A1
SCHEMBL12215950 0.75 KMT2A (0.59) MEN1NPC1RAB9AKMT2AALDH1A1
SCHEMBL10104079 0.74 KMT2A (0.43) MEN1NPC1RAB9AKMT2AALDH1A1
SCHEMBL10104085 0.74 RAB9A (0.43) MEN1NPC1RAB9AKMT2AALDH1A1
SCHEMBL13963745 0.72 MEN1 (0.47) MEN1NPC1RAB9AKMT2AALDH1A1
SCHEMBL10104088 0.71 CHRM2 (0.42) MEN1NPC1RAB9AKMT2AALDH1A1

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
EP-2018847-B1 Hair composition comprising at least one direct disulfide dye and at least one alkali hydroxide agent and method of simultaneous styling and dyeing. ORÉAL L (FR) 2014-09-17 EP disclosed