SCHEMBL5594463

SCHEMBL5594463

N#CC(=Cc1ccc(O)cc1O)c1nc2ccccc2[nH]1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 10/20 0.67
▸ KMT2A Q03164 10/20 0.67
▸ NSD2 O96028 1/20 0.67
▸ BLM P54132 1/20 0.67
▸ CDC7 O00311 1/20 0.62
▸ PLK4 O00444 1/20 0.62
▸ CHEK1 O14757 1/20 0.62
▸ PDPK1 O15530 1/20 0.62
▸ DAPK3 O43293 1/20 0.62
▸ DYRK3 O43781 1/20 0.62
▸ PRKD3 O94806 1/20 0.62
▸ MAP4K4 O95819 1/20 0.62
▸ CDK1 P06493 1/20 0.62
▸ CSF1R P07333 1/20 0.62
▸ PIM1 P11309 1/20 0.62
▸ PHKG2 P15735 1/20 0.62
▸ RPS6KB1 P23443 1/20 0.62
▸ CDK2 P24941 1/20 0.62
▸ TYK2 P29597 1/20 0.62
▸ AXL P30530 1/20 0.62

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
SCHEMBL5594436 0.85 MAPT (0.72) MEN1KMT2ANSD2BLMCDC7
SCHEMBL10476384 0.83 THRB (0.79) MEN1KMT2ANSD2BLMMAPT
SCHEMBL10476376 0.82 MEN1 (0.67) MEN1KMT2ANSD2BLMCDC7
SCHEMBL10476361 0.82 MAPT (0.75) MEN1KMT2ANSD2BLMCDC7
SCHEMBL5594708 0.80 MEN1 (1.00) MEN1KMT2ANSD2BLMCDC7
SCHEMBL12881142 0.80 MEN1 (1.00) MEN1KMT2ANSD2BLMCDC7
SCHEMBL27983608 0.79 MAPT (0.82) MEN1KMT2ANSD2BLMMAPT
SCHEMBL5594404 0.78 APP (0.64) MEN1KMT2ANSD2BLMMAPT
SCHEMBL10476364 0.77 MAPT (0.82) MEN1KMT2ABLMCDC7PLK4
SCHEMBL10476385 0.77 KMT2A (0.73) MEN1KMT2ANSD2BLMMAPT

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
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