SCHEMBL9009937

SCHEMBL9009937

COc1cc([S+](C)[O-])c(N)cc1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.45
POLB P06746 1/20 0.45
GAA P10253 2/20 0.44
ALDH1A1 P00352 7/20 0.41
CYP3A4 P08684 3/20 0.41
TDP1 Q9NUW8 3/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HTT P42858 2/20 0.39
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.39
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
KMT2A Q03164 1/20 0.38
S100B P04271 1/20 0.38
NPC1 O15118 1/20 0.35
ADRA2B P18089 1/20 0.34
PTGS1 P23219 1/20 0.34
CA1 P00915 1/20 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
SCHEMBL22593215 0.83 GAA (0.58) L3MBTL1POLBGAAALDH1A1CYP3A4
SCHEMBL453951 0.75 GAA (0.68) L3MBTL1POLBGAAALDH1A1CYP3A4
SCHEMBL29083695 0.74 ALDH1A1 (0.49) L3MBTL1GAAALDH1A1HSD17B10HTT
SCHEMBL29083724 0.73 GAA (0.59) L3MBTL1POLBGAAALDH1A1CYP3A4
SCHEMBL11878678 0.73 L3MBTL1 (0.61) L3MBTL1POLBGAAALDH1A1CYP3A4
SCHEMBL926329 0.72 L3MBTL1 (0.67) L3MBTL1POLBGAAALDH1A1CYP3A4
Tolmesoxide SCHEMBL2109962 0.71 ACHE (0.37) POLBGAAALDH1A1CYP3A4TDP1
SCHEMBL23624947 0.71 ALDH1A1 (0.53) L3MBTL1POLBGAAALDH1A1CYP3A4
SCHEMBL1708452 0.68 GAA (0.65) L3MBTL1POLBGAAALDH1A1CYP3A4
SCHEMBL453847 0.67 L3MBTL1 (0.60) L3MBTL1POLBGAAALDH1A1CYP3A4

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
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