SCHEMBL9523992

SCHEMBL9523992

Cc1cc(S)c(Cl)cc1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD44 P16070 1/20 0.52
CYP3A4 P08684 5/20 0.46
TSHR P16473 4/20 0.46
MAPK1 P28482 1/20 0.46
GAA P10253 2/20 0.43
ALDH1A1 P00352 5/20 0.38
CYP1A2 P05177 1/20 0.38
ALOX15 P16050 1/20 0.38
CASP7 P55210 1/20 0.38
HIF1A Q16665 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TERT O14746 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
CASP1 P29466 1/20 0.36
NPC1 O15118 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ATM Q13315 1/20 0.34
UHRF1 Q96T88 1/20 0.33
ATAD2 Q6PL18 1/20 0.33

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
SCHEMBL9307923 0.79 GAA (0.53) CD44CYP3A4TSHRMAPK1GAA
SCHEMBL6944526 0.79 CD44 (0.62) CD44CYP3A4TSHRMAPK1GAA
SCHEMBL6094188 0.77 GAA (0.67) CD44CYP3A4TSHRMAPK1GAA
SCHEMBL2026149 0.77 GAA (0.67) CD44CYP3A4TSHRMAPK1GAA
SCHEMBL29683620 0.77 GAA (0.67) CD44CYP3A4TSHRMAPK1GAA
SCHEMBL29739478 0.77 CD44 (0.75) CD44CYP3A4TSHRMAPK1GAA
SCHEMBL9634914 0.77 CD44 (0.75) CD44CYP3A4TSHRMAPK1GAA
SCHEMBL7784067 0.77 CYP3A4 (0.60) CD44CYP3A4TSHRMAPK1GAA
SCHEMBL11818230 0.77 CYP3A4 (0.52) CD44CYP3A4TSHRMAPK1GAA
SCHEMBL10710955 0.77 CD44 (0.46) CD44CYP3A4MAPK1GAAALDH1A1

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-0331144-B1 3-SUBSTITUTED PARA-AMINO PHENOLS, PROCESS FOR THEIR PREPARATION, THEIR USE IN DYEING KERATENIC FIBRES AND INTERMEDIATES USED IN THE PREPARATION PROCESS L'OREAL (FR) 1993-06-09 EP claimed