SCHEMBL4820048

SCHEMBL4820048

Cc1cc(N)ccc1NCCS(=O)(=O)NCCO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 3/20 0.38
BRD4 O60885 2/20 0.38
RAD52 P43351 1/20 0.38
PDK1 Q15118 1/20 0.37
PDK2 Q15119 1/20 0.37
PDK3 Q15120 1/20 0.37
PDK4 Q16654 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
SIGMAR1 Q99720 1/20 0.36
NQO2 P16083 4/20 0.36
GAA P10253 2/20 0.35
PKM P14618 2/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
RECQL P46063 2/20 0.35
TDP1 Q9NUW8 2/20 0.35

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
Sulfuric Acid SCHEMBL4626210 0.84 MAPT (0.43) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
Sulfuric Acid SCHEMBL11060632 0.83 MAPT (0.42) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL4823583 0.83 L3MBTL1 (0.40) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL33660 0.82 CYP2C19 (0.45) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL29392615 0.82 CYP2C19 (0.45) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL4824279 0.81 CYP2D6 (0.46) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL14253796 0.81 L3MBTL1 (0.47) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
Water SCHEMBL11060635 0.81 CYP2C19 (0.44) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
Hydrochloric Acid SCHEMBL11438657 0.81 CYP2C19 (0.44) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL4822328 0.80 L3MBTL1 (0.42) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7347879-B2 Sulfur-containing secondary para-phenylenediamines dye compositions comprising such para-phenylenediamines, processes, and uses thereof L'Oreál, S.A. (FR) 2008-03-25 US disclosed
US-7347879-B2 Sulfur-containing secondary para-phenylenediamines dye compositions comprising such para-phenylenediamines, processes, and uses thereof L'Oreál, S.A. (FR) 2008-03-25 US disclosed
US-7347879-B2 Sulfur-containing secondary para-phenylenediamines dye compositions comprising such para-phenylenediamines, processes, and uses thereof L'Oreál, S.A. (FR) 2008-03-25 US disclosed