SCHEMBL8540634

SCHEMBL8540634

COc1cc(CS)c(N)cc1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.47
POLB P06746 1/20 0.47
GAA P10253 4/20 0.45
ALDH1A1 P00352 6/20 0.42
CYP3A4 P08684 3/20 0.42
TSHR P16473 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
HSD17B10 Q99714 1/20 0.42
PKM P14618 1/20 0.40
MAPT P10636 3/20 0.39
MEN1 O00255 1/20 0.39
THRB P10828 1/20 0.39
KMT2A Q03164 1/20 0.39
S100B P04271 1/20 0.39
HTT P42858 2/20 0.38
MAPK1 P28482 1/20 0.38
HTR2A P28223 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
CYP19A1 P11511 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL11557927 0.89 GAA (0.44) L3MBTL1POLBGAAALDH1A1CYP3A4
SCHEMBL18421590 0.79 PDE4A (0.50) L3MBTL1POLBGAAALDH1A1CYP3A4
SCHEMBL11826603 0.77 TAAR1 (0.45) GAACYP3A4TSHRMAPTHTT
SCHEMBL453951 0.77 GAA (0.68) L3MBTL1POLBGAAALDH1A1CYP3A4
SCHEMBL11878678 0.74 L3MBTL1 (0.61) L3MBTL1POLBGAAALDH1A1CYP3A4
SCHEMBL20231602 0.74 TAAR1 (0.53) L3MBTL1POLBGAAALDH1A1CYP3A4
SCHEMBL926329 0.74 L3MBTL1 (0.67) L3MBTL1POLBGAAALDH1A1CYP3A4
SCHEMBL10914691 0.73 ALDH1A1 (0.50) GAAALDH1A1CYP3A4HSD17B10
SCHEMBL2340417 0.73 HTR2A (0.52) L3MBTL1GAAALDH1A1CYP3A4TSHR
SCHEMBL19882731 0.72 POLB (0.48) 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
EP-0591059-B1 Use of sulfur-containing metaphenylenediamines for dyeing keratinic fibers and new sulfur-containing metaphenylenediamines OREAL (FR) 1998-04-15 EP claimed