SCHEMBL14399338

SCHEMBL14399338

CCC(=O)NCCSSCCNC(=O)CC[n+]1ccccc1/C=C/c1cc2c3c(c1)CCCN3CCC2

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 7/20 0.34
▸ MTNR1B P49286 7/20 0.34
▸ NPY1R P25929 6/20 0.34
▸ CHRM2 P08172 1/20 0.32
▸ CHRM4 P08173 1/20 0.32
▸ CHRM5 P08912 1/20 0.32
▸ CHRM1 P11229 1/20 0.32
▸ CHRM3 P20309 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ PKM P14618 1/20 0.31

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
SCHEMBL10104252 0.96 NPY1R (0.34) NPY1RCHRM2CHRM4CHRM5CHRM1
SCHEMBL14392882 0.86 NPY1R (0.34) MTNR1AMTNR1BNPY1RCHRM2CHRM4
SCHEMBL10104559 0.81 NPY1R (0.33) NPY1RCHRM2CHRM4CHRM5CHRM1
SCHEMBL10104234 0.81 KMT2A (0.35) ALDH1A1
SCHEMBL16070306 0.81 KDM4A (0.35) ALDH1A1
SCHEMBL14392763 0.78 KMT2A (0.32) ALDH1A1
SCHEMBL16070353 0.76 KMT2A (0.35) ALDH1A1
SCHEMBL10104223 0.75 LMNA (0.33) NPY1RALDH1A1
SCHEMBL10313130 0.74 KDM4A (0.30) —
SCHEMBL14392878 0.74 KMT2A (0.35) ALDH1A1

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-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
WO-2007110542-A2 METHOD OF DYEING AND LIGHTENING KERATIN MATERIALS IN THE PRESENCE OF A REDUCING AGENT COMPRISING A FLUORESCENT DISULPHIDE DYE L'OREAL (FR) 2007-10-04 — — WO disclosed
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