SCHEMBL5594542

SCHEMBL5594542

COc1cc(C=C(C#N)c2nc3ccccc3[nH]2)cc(OC)c1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 13/20 1.00
▸ MEN1 O00255 9/20 1.00
▸ KMT2A Q03164 9/20 1.00
▸ POLB P06746 8/20 1.00
▸ USP2 O75604 2/20 1.00
▸ TNNI3 P19429 1/20 1.00
▸ TNNT2 P45379 1/20 1.00
▸ RECQL P46063 1/20 1.00
▸ TNNC1 P63316 1/20 1.00
▸ MCOLN3 Q8TDD5 1/20 1.00
▸ RAB9A P51151 5/20 0.80
▸ NPC1 O15118 2/20 0.80
▸ PKM P14618 2/20 0.77
▸ SMN1; SMN2 Q16637 6/20 0.66
▸ TP53 P04637 3/20 0.66
▸ CDC7 O00311 1/20 0.66
▸ PLK4 O00444 1/20 0.66
▸ CHEK1 O14757 1/20 0.66
▸ PDPK1 O15530 1/20 0.66
▸ DAPK3 O43293 1/20 0.66

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
SCHEMBL14476502 0.93 MAPT (0.86) MAPTMEN1KMT2APOLBUSP2
SCHEMBL12351294 0.91 MAPT (0.83) MAPTMEN1KMT2APOLBUSP2
SCHEMBL10476363 0.89 MEN1 (1.00) MAPTMEN1KMT2APOLBUSP2
SCHEMBL17799204 0.86 MAPT (0.76) MAPTMEN1KMT2APOLBUSP2
SCHEMBL14749136 0.86 MAPT (0.76) MAPTMEN1KMT2APOLBUSP2
SCHEMBL17799202 0.86 MAPT (0.76) MAPTMEN1KMT2APOLBUSP2
SCHEMBL10476385 0.85 KMT2A (0.73) MAPTMEN1KMT2APOLBUSP2
SCHEMBL10476383 0.85 KMT2A (0.73) MAPTMEN1KMT2APOLBUSP2
SCHEMBL5594436 0.83 MAPT (0.72) MAPTMEN1KMT2APOLBUSP2
SCHEMBL10476364 0.83 MAPT (0.82) MAPTMEN1KMT2APOLBUSP2

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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