SCHEMBL5594539

SCHEMBL5594539

Cc1cc(C(=O)C(C#N)=Cc2ccc(O)cc2O)c(C)o1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.55
EGFR P00533 6/20 0.46
LCK P06239 1/20 0.45
S100A4 P26447 1/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
PSMD14 O00487 1/20 0.43
GAA P10253 2/20 0.42
NSD2 O96028 1/20 0.42
POLB P06746 1/20 0.42
BLM P54132 1/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TYR P14679 1/20 0.39
ERBB2 P04626 3/20 0.38
PKM P14618 1/20 0.38
CHRNA7 P36544 4/20 0.38
GPR174 Q9BXC1 1/20 0.37

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
SCHEMBL5604915 0.87 CYP1A2 (0.47) MIFS100A4KMT2AKDM4EPKM
SCHEMBL5604921 0.87 CYP1A2 (0.47) MIFS100A4KMT2AKDM4EPKM
SCHEMBL5594374 0.83 S100A4 (0.46) MIFEGFRS100A4KMT2AMEN1
SCHEMBL5595188 0.80 EGFR (0.62) EGFRLCKS100A4KMT2AMEN1
SCHEMBL5594864 0.77 KMT2A (0.49) EGFRS100A4KMT2AMEN1PSMD14
SCHEMBL10476360 0.75 MEN1 (0.60) EGFRKMT2AMEN1PSMD14GAA
SCHEMBL21457392 0.73 EGFR (0.79) MIFEGFRLCKKMT2AALDH1A1
SCHEMBL21457390 0.73 EGFR (0.79) MIFEGFRLCKKMT2AALDH1A1
SCHEMBL5595450 0.73 KMT2A (0.56) EGFRS100A4KMT2AMEN1GAA
SCHEMBL5594942 0.72 MIF (0.51) MIFEGFRLCKKMT2AMEN1

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