SCHEMBL16070263

SCHEMBL16070263

CCN1C=CC(/C=C/c2ccc(N(CCCCSSCCCCN(Cc3ccccc3)c3ccc(/C=C/c4cc[n+](CC)cc4)cc3)Cc3ccccc3)cc2)=CC1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.35
CHRM4 P08173 2/20 0.35
CHRM5 P08912 2/20 0.35
CHRM1 P11229 2/20 0.35
CHRM3 P20309 2/20 0.35
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
NR1H2 P55055 1/20 0.30
NR1H3 Q13133 1/20 0.30

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
SCHEMBL16070452 0.94 CHRM2 (0.32) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL14393738 0.85 CHRM2 (0.32) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL16070380 0.85 KDM4A (0.34) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL10104099 0.85 CHRM2 (0.45) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL16104213 0.84 CHRM2 (0.40) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL16070341 0.83
SCHEMBL14398882 0.83 CHAT (0.33) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL16104207 0.83 KDM4A (0.35) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL16070454 0.82
SCHEMBL16070394 0.81 KDM4A (0.34) CHRM2CHRM4CHRM5CHRM1CHRM3

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-2004759-B1 METHOD OF DYEING AND LIGHTENING KERATIN MATERIALS IN THE PRESENCE OF A REDUCING AGENT COMPRISING A FLUORESCENT DISULPHIDE DYE ORÉAL L (FR) 2016-05-11 EP disclosed
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