SCHEMBL8535918

SCHEMBL8535918

Nc1cc(N)c(C(S)C(=O)O)cc1SCCC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
FGB P02675 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
HKDC1 Q2TB90 2/20 0.33
HK1 P19367 1/20 0.33
CYSLTR2 Q9NS75 1/20 0.32
CYSLTR1 Q9Y271 1/20 0.32
MAP2K7 O14733 2/20 0.32
CDC25A P30304 2/20 0.32
CDC25B P30305 2/20 0.32
APEX1 P27695 2/20 0.32
S100A4 P26447 1/20 0.31
BHMT Q93088 1/20 0.30
EP300 Q09472 1/20 0.30
ERBB2 P04626 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 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
SCHEMBL8534803 0.81 KMT2A (0.44) MEN1FGBPOLBKMT2AALDH1A1
SCHEMBL8538361 0.75 CYP1A2 (0.42) MEN1FGBPOLBKMT2AALDH1A1
SCHEMBL9701297 0.66 MEN1 (0.54) MEN1FGBPOLBKMT2AALDH1A1
SCHEMBL8536610 0.61 GABBR2 (0.32) MEN1POLBKMT2A
SCHEMBL10683458 0.61 KEAP1 (0.50) MEN1KMT2AALDH1A1
Succinic Acid SCHEMBL11703500 0.60 POLB (0.46) MEN1FGBPOLBKMT2AALDH1A1
SCHEMBL8536593 0.59 CA2 (0.40) MEN1KMT2AALDH1A1MAPTHKDC1
SCHEMBL8538357 0.59 CYP1A2 (0.38) ALDH1A1CDC25BAPEX1S100A4
SCHEMBL7402833 0.59 GAA (0.39) ALDH1A1MAPTCA1CA2
SCHEMBL8473388 0.59 CYSLTR2 (0.57) MEN1FGBPOLBKMT2AALDH1A1

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-0591059-B1 Use of sulfur-containing metaphenylenediamines for dyeing keratinic fibers and new sulfur-containing metaphenylenediamines OREAL (FR) 1998-04-15 EP claimed