SCHEMBL8534889

SCHEMBL8534889

COc1cc(SCCNC(C)=O)c(N)cc1N

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 8/20 0.60
MTNR1B P49286 8/20 0.60
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
Hydrochloric Acid SCHEMBL9009890 0.99 MTNR1A (0.59) MTNR1AMTNR1BNPC1GAAHTT
Water SCHEMBL8536059 0.99 MTNR1A (0.59) MTNR1AMTNR1BNPC1GAAHTT
SCHEMBL8445169 0.78 MTNR1A (0.50) MTNR1AMTNR1BRAB9ASMN1; SMN2
SCHEMBL8921661 0.75 MTNR1A (0.54) MTNR1AMTNR1BNPC1RAB9ASMN1; SMN2
SCHEMBL8536690 0.75 MTNR1A (0.56) MTNR1AMTNR1BNPC1GAARAB9A
Hydrochloric Acid SCHEMBL8919928 0.74 MTNR1A (0.52) MTNR1AMTNR1BNPC1RAB9ASMN1; SMN2
SCHEMBL8759942 0.74 GSTP1 (0.53) MTNR1AMTNR1BGAAHTTSMN1; SMN2
SCHEMBL8948371 0.72 MTNR1A (0.47) MTNR1AMTNR1BGAASMN1; SMN2
SCHEMBL8921659 0.72 MTNR1A (0.50) MTNR1AMTNR1BNPC1GAARAB9A
SCHEMBL8535026 0.70 ACACB (0.38) MTNR1AMTNR1BGAAHTT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0591059-B1 Use of sulfur-containing metaphenylenediamines for dyeing keratinic fibers and new sulfur-containing metaphenylenediamines OREAL (FR) 1998-04-15 EP claimed
EP-0591059-A1 Use of sulfur-containing metaphenylenediamines for dyeing keratinic fibers and new sulfur-containing metaphenylenediamines L'OREAL (FR) 1994-04-06 EP claimed
EP-0591059-B1 Use of sulfur-containing metaphenylenediamines for dyeing keratinic fibers and new sulfur-containing metaphenylenediamines OREAL (FR) 1998-04-15 EP disclosed
US-5534036-A Keratinous fiber dyeing methods and compositions which contain sulfated methaphenylenediamine couplers in combination with oxidation dye precursors L'OREAL (FR) 1996-07-09 US disclosed
EP-0591059-A1 Use of sulfur-containing metaphenylenediamines for dyeing keratinic fibers and new sulfur-containing metaphenylenediamines L'OREAL (FR) 1994-04-06 EP disclosed