SCHEMBL12658268

SCHEMBL12658268

CC(=O)SCC[n+]1ccc(/C=C/c2ccc(N(CCO)CCN=O)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 2/20 0.40
▸ CHRM4 P08173 2/20 0.40
▸ CHRM5 P08912 2/20 0.40
▸ CHRM1 P11229 2/20 0.40
▸ CHRM3 P20309 2/20 0.40
▸ KDM4A O75164 4/20 0.34
▸ KDM2A Q9Y2K7 4/20 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
SCHEMBL12219555 0.92 CHRM2 (0.46) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL21005799 0.82 CHRM2 (0.40) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL13694975 0.78 KDM4A (0.55) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL10104204 0.78 CHRM2 (0.48) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL19003828 0.75 CHRM2 (0.49) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL18774410 0.74 CHRM2 (0.40) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL19649274 0.74 CYP19A1 (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL19649206 0.73 CHRM2 (0.37) CHRM2CHRM4CHRM5CHRM1CHRM3
Iodide SCHEMBL7034960 0.73 CHRM2 (0.48) CHRM2CHRM4CHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL18986923 0.73 CHRM2 (0.48) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2004757-B1 DYEING COMPOSITION CONTAINING A THIOL/DISULPHIDE FLUORESCENT COLORANT COMPRISING AMINE GROUPS AND HAVING AN INTERNAL CATIONIC CHARGE, AND METHOD FOR LIGHTENING KERATIN MATERIALS USING SAID COLORANT OREAL (FR) 2011-05-04 — — EP disclosed
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