SCHEMBL5594404

SCHEMBL5594404

N#CC(=Cc1c[nH]c2ccccc12)c1nc2ccccc2[nH]1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 1/20 0.64
▸ MAPT P10636 8/20 0.64
▸ KDM4E B2RXH2 3/20 0.64
▸ THRB P10828 1/20 0.62
▸ MEN1 O00255 8/20 0.60
▸ KMT2A Q03164 8/20 0.60
▸ NPSR1 Q6W5P4 3/20 0.60
▸ ALDH1A1 P00352 2/20 0.60
▸ NSD2 O96028 1/20 0.60
▸ BLM P54132 1/20 0.60
▸ NPC1 O15118 5/20 0.58
▸ RAB9A P51151 5/20 0.58
▸ POLB P06746 5/20 0.58
▸ SMN1; SMN2 Q16637 4/20 0.58
▸ LMNA P02545 3/20 0.58
▸ TDP1 Q9NUW8 1/20 0.58
▸ KIF20A O95235 1/20 0.57
▸ NFKB1 P19838 1/20 0.56
▸ NFKB2 Q00653 1/20 0.56
▸ RELA Q04206 1/20 0.56

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
SCHEMBL10476376 0.82 MEN1 (0.67) MAPTKDM4ETHRBMEN1KMT2A
SCHEMBL27983608 0.81 MAPT (0.82) MAPTKDM4ETHRBMEN1KMT2A
SCHEMBL4328855 0.79 APP (1.00) APPMAPTKDM4EMEN1KMT2A
SCHEMBL11657765 0.78 KIF20A (0.71) APPMAPTKDM4EMEN1KMT2A
SCHEMBL10476384 0.78 THRB (0.79) MAPTKDM4ETHRBMEN1KMT2A
SCHEMBL5594463 0.78 MEN1 (0.67) MAPTKDM4ETHRBMEN1KMT2A
SCHEMBL10476377 0.77 MEN1 (0.60) APPMAPTKDM4EMEN1KMT2A
SCHEMBL12351215 0.77 MAPT (0.65) MAPTKDM4ETHRBMEN1KMT2A
SCHEMBL21578429 0.75 MAPT (0.64) MAPTKDM4ETHRBMEN1KMT2A
SCHEMBL5594708 0.75 MEN1 (1.00) MAPTKDM4ETHRBMEN1KMT2A

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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