SCHEMBL5594864

SCHEMBL5594864

Cc1cc(C(=O)C(C#N)=Cc2cc(C)c(O)c(C)c2)c(C)o1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.49
POLB P06746 5/20 0.49
BLM P54132 3/20 0.49
GAA P10253 2/20 0.49
NSD2 O96028 1/20 0.49
S100A4 P26447 1/20 0.48
MEN1 O00255 4/20 0.45
PSMD14 O00487 1/20 0.45
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
EGFR P00533 8/20 0.41
ERBB2 P04626 5/20 0.41
MAPT P10636 3/20 0.40
KDM4E B2RXH2 3/20 0.40
APEX1 P27695 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
PTP4A1 Q93096 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 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
SCHEMBL5595450 0.85 KMT2A (0.56) KMT2APOLBBLMGAANSD2
SCHEMBL5595188 0.82 EGFR (0.62) KMT2APOLBBLMGAANSD2
SCHEMBL10476360 0.77 MEN1 (0.60) KMT2APOLBBLMGAAMEN1
SCHEMBL5594539 0.77 MIF (0.55) KMT2APOLBBLMGAANSD2
SCHEMBL5594770 0.76 MEN1 (0.59) KMT2APOLBBLMS100A4MEN1
SCHEMBL5594374 0.73 S100A4 (0.46) KMT2APOLBBLMGAANSD2
SCHEMBL5604921 0.72 CYP1A2 (0.47) KMT2AS100A4LMNAKDM4ETDP1
SCHEMBL5604915 0.72 CYP1A2 (0.47) KMT2AS100A4LMNAKDM4ETDP1
SCHEMBL3248262 0.66 EGFR (0.82) KMT2APOLBBLMGAAMEN1
SCHEMBL2599092 0.65 S100A4 (1.00) KMT2APOLBBLMGAANSD2

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