SCHEMBL8534803

SCHEMBL8534803

Nc1cc(N)c(SCCC(=O)O)cc1SCCC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
FGB P02675 1/20 0.44
POLB P06746 1/20 0.44
ALDH1A1 P00352 5/20 0.44
MAPT P10636 1/20 0.44
APEX1 P27695 2/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 2/20 0.39
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA13 Q8N1Q1 1/20 0.38
HK1 P19367 1/20 0.37
HKDC1 Q2TB90 1/20 0.37
PRNP P04156 1/20 0.37
MAPK10 P53779 1/20 0.37

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
SCHEMBL8538361 0.93 CYP1A2 (0.42) KMT2AMEN1FGBPOLBALDH1A1
SCHEMBL8535918 0.81 MEN1 (0.39) KMT2AMEN1FGBPOLBALDH1A1
SCHEMBL9701297 0.78 MEN1 (0.54) KMT2AMEN1FGBPOLBALDH1A1
SCHEMBL8536593 0.74 CA2 (0.40) KMT2AMEN1ALDH1A1MAPTTSHR
Succinic Acid SCHEMBL11703500 0.71 POLB (0.46) KMT2AMEN1FGBPOLBALDH1A1
SCHEMBL30441595 0.70 MEN1 (0.37) KMT2AMEN1FGBPOLBALDH1A1
SCHEMBL26606803 0.70 MEN1 (0.37) KMT2AMEN1FGBPOLBALDH1A1
SCHEMBL21189320 0.69 CYP1A2 (0.68) POLBALDH1A1MAPTTSHRHSD17B10
SCHEMBL19973526 0.68 KEAP1 (0.42) KMT2AMEN1FGBPOLBALDH1A1
SCHEMBL14003923 0.68 ALDH1A1 (0.44) KMT2AMEN1FGBPOLBALDH1A1

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