SCHEMBL5594946

SCHEMBL5594946

N#CC(=Cc1ccc(O)cc1O)C(=O)c1cccs1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.65
ERBB2 P04626 2/20 0.65
MIF P14174 1/20 0.51
LCK P06239 1/20 0.47
KDM4E B2RXH2 5/20 0.46
KMT2A Q03164 6/20 0.45
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
MAPK1 P28482 3/20 0.41
ALDH1A1 P00352 2/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 3/20 0.41
MAPT P10636 4/20 0.40
MEN1 O00255 3/20 0.40
STAT3 P40763 1/20 0.40
CYP3A4 P08684 2/20 0.39
ALOX15 P16050 2/20 0.39
HSD17B10 Q99714 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL21457390 0.75 EGFR (0.79) EGFRMIFLCKKDM4EKMT2A
SCHEMBL21457392 0.75 EGFR (0.79) EGFRMIFLCKKDM4EKMT2A
SCHEMBL5594942 0.74 MIF (0.51) EGFRERBB2MIFLCKKDM4E
SCHEMBL5595103 0.73 EGFR (0.74) EGFRERBB2KDM4EKMT2AALDH1A1
SCHEMBL10476374 0.73 EGFR (0.63) EGFRERBB2KDM4EKMT2AMAPK1
SCHEMBL5594247 0.73 MAPT (0.60) EGFRERBB2KDM4EKMT2AMAPK1
SCHEMBL29119411 0.71 MIF (0.72) EGFRMIFLCKKDM4EKMT2A
SCHEMBL2985800 0.71 EGFR (0.54) EGFRERBB2KDM4EKMT2ACES2
SCHEMBL13916092 0.71 EGFR (0.54) EGFRERBB2KDM4EKMT2ACES2
SCHEMBL2985798 0.71 EGFR (0.54) EGFRERBB2KDM4EKMT2ACES2

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
EP-1778176-B1 COMPOSITION FOR COLOURING KERATIN-CONTAINING FIBRES HENKEL AG & CO KGAA (DE) 2012-07-25 EP disclosed
EP-1778176-A2 MEANS FOR COLOURING KERATIN-CONTAINING FIBRES Henkel Kommanditgesellschaft auf Aktien (DE) 2007-05-02 EP disclosed
WO-2005120445-A2 MEANS FOR COLOURING KERATIN-CONTAINING FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2005-12-22 WO disclosed