SCHEMBL16070375

SCHEMBL16070375

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
RAB9A P51151 4/20 0.47
ALDH1A1 P00352 4/20 0.47
MAPT P10636 4/20 0.47
NPC1 O15118 3/20 0.47
HTT P42858 2/20 0.47
STAT3 P40763 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM4A O75164 2/20 0.37
KDM2A Q9Y2K7 2/20 0.37
APOBEC3A P31941 2/20 0.35
APOBEC3G Q9HC16 2/20 0.35
GFER P55789 1/20 0.35
KDM4E B2RXH2 4/20 0.35
LMNA P02545 3/20 0.32
HPGD P15428 2/20 0.32
MAPK1 P28482 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
MITF O75030 1/20 0.32

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
SCHEMBL18774362 0.91 MEN1 (0.50) KMT2AMEN1RAB9AALDH1A1MAPT
SCHEMBL10104082 0.89 KMT2A (0.58) KMT2AMEN1RAB9AALDH1A1MAPT
SCHEMBL17733964 0.84 KDM4A (0.36) KMT2AMEN1RAB9AALDH1A1MAPT
SCHEMBL10104089 0.82 KMT2A (0.55) KMT2AMEN1RAB9AALDH1A1MAPT
SCHEMBL12215952 0.82 KMT2A (0.57) KMT2AMEN1RAB9AALDH1A1MAPT
SCHEMBL17733968 0.82 MEN1 (0.48) KMT2AMEN1RAB9AALDH1A1MAPT
SCHEMBL19649306 0.81 MEN1 (0.47) KMT2AMEN1RAB9AALDH1A1MAPT
SCHEMBL10104070 0.79 MEN1 (0.63) KMT2AMEN1RAB9AALDH1A1MAPT
SCHEMBL17733983 0.78 KDM4A (0.36) KMT2AMEN1RAB9AALDH1A1MAPT
SCHEMBL12215950 0.78 KMT2A (0.59) KMT2AMEN1RAB9AALDH1A1MAPT

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