SCHEMBL4667299

SCHEMBL4667299

COc1cc(NC(=O)O)c(O)cc1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
KCNMA1 Q12791 3/20 0.41
ABCC1 P33527 1/20 0.41
ALDH1A1 P00352 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
PKM P14618 1/20 0.41
TSHR P16473 2/20 0.40
POLB P06746 1/20 0.39
PTGS2 P35354 1/20 0.39
GAA P10253 4/20 0.38
NFKB1 P19838 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
CYP3A4 P08684 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL7251847 0.87 KDM4E (0.45) KDM4EKCNMA1ABCC1ALDH1A1L3MBTL1
SCHEMBL7250895 0.83 DPP4 (0.48) KDM4EALDH1A1L3MBTL1LMNATSHR
SCHEMBL7256416 0.80 HDAC1 (0.43) KDM4EKCNMA1ABCC1ALDH1A1L3MBTL1
SCHEMBL4668033 0.80 STING1 (0.44) KDM4EKCNMA1ALDH1A1TSHRPTGS2
SCHEMBL6939452 0.79 POLB (0.61) KDM4EALDH1A1L3MBTL1HTTPKM
SCHEMBL4669168 0.78 ALDH1A1 (0.43) KDM4EALDH1A1LMNAPOLBCA12
SCHEMBL7250986 0.78 L3MBTL1 (0.45) KDM4EKCNMA1ALDH1A1L3MBTL1LMNA
Hydrochloric Acid SCHEMBL6939581 0.78 POLB (0.63) KDM4EALDH1A1L3MBTL1HTTPKM
SCHEMBL4669067 0.77 NPSR1 (0.44) KDM4EKCNMA1ABCC1ALDH1A1L3MBTL1
SCHEMBL6806493 0.75 PKM (0.47) KDM4EALDH1A1PKMCA1CA2

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-1129689-B1 Keratinous fiber dyeing composition comprising N-(2-hydroxybenzene)-carbamate or N-(2-hydroxybenzene)urea derivatives as coupling agents and process for dyeing OREAL (FR) 2008-07-09 EP claimed