SCHEMBL5594048

SCHEMBL5594048

CN(C)c1ccc(C=CC=C(C#N)c2nc3ccccc3[nH]2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.55
▸ BLM P54132 2/20 0.55
▸ TP53 P04637 1/20 0.55
▸ THRB P10828 1/20 0.54
▸ KDM4E B2RXH2 4/20 0.52
▸ MEN1 O00255 9/20 0.52
▸ KMT2A Q03164 9/20 0.52
▸ NSD2 O96028 1/20 0.52
▸ RAB9A P51151 6/20 0.49
▸ POLB P06746 5/20 0.49
▸ NPC1 O15118 5/20 0.49
▸ USP2 O75604 2/20 0.49
▸ PKM P14618 1/20 0.49
▸ NPSR1 Q6W5P4 4/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ APP P05067 1/20 0.49
▸ LMNA P02545 5/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.48
▸ TNNI3 P19429 1/20 0.48
▸ TNNT2 P45379 1/20 0.48

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
SCHEMBL10476367 1.00 MAPT (0.55) MAPTBLMTP53THRBKDM4E
SCHEMBL5594925 0.78 MEN1 (0.78) MAPTBLMTP53THRBKDM4E
SCHEMBL5594923 0.78 MEN1 (0.78) MAPTBLMTP53THRBKDM4E
SCHEMBL14964957 0.76 MAPT (0.69) MAPTBLMTP53KDM4EMEN1
SCHEMBL14964958 0.76 MAPT (0.69) MAPTBLMTP53KDM4EMEN1
SCHEMBL1902176 0.76 MAPT (0.62) MAPTBLMTHRBKDM4EMEN1
SCHEMBL1902177 0.76 MAPT (0.62) MAPTBLMTHRBKDM4EMEN1
SCHEMBL5594636 0.76 MEN1 (0.57) MAPTTHRBKDM4EMEN1KMT2A
SCHEMBL5594635 0.76 MEN1 (0.57) MAPTTHRBKDM4EMEN1KMT2A
SCHEMBL10053864 0.72 APP (0.88) MAPTKDM4EMEN1KMT2ARAB9A

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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