SCHEMBL5594925

SCHEMBL5594925

COc1cc(C=CC=C(C#N)c2nc3ccccc3[nH]2)ccc1O

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 8/20 0.78
▸ KMT2A Q03164 8/20 0.78
▸ POLB P06746 7/20 0.78
▸ RAB9A P51151 4/20 0.78
▸ USP2 O75604 4/20 0.78
▸ NPC1 O15118 2/20 0.78
▸ PKM P14618 1/20 0.66
▸ MAPT P10636 12/20 0.65
▸ TNNI3 P19429 1/20 0.65
▸ TNNT2 P45379 1/20 0.65
▸ RECQL P46063 1/20 0.65
▸ TNNC1 P63316 1/20 0.65
▸ MCOLN3 Q8TDD5 1/20 0.65
▸ CDC7 O00311 1/20 0.60
▸ PLK4 O00444 1/20 0.60
▸ CHEK1 O14757 1/20 0.60
▸ PDPK1 O15530 1/20 0.60
▸ DAPK3 O43293 1/20 0.60
▸ DYRK3 O43781 1/20 0.60
▸ PRKD3 O94806 1/20 0.60

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
SCHEMBL5594923 1.00 MEN1 (0.78) MEN1KMT2APOLBRAB9AUSP2
SCHEMBL10476363 0.88 MEN1 (1.00) MEN1KMT2APOLBRAB9AUSP2
SCHEMBL5594542 0.79 MAPT (1.00) MEN1KMT2APOLBRAB9AUSP2
SCHEMBL5594048 0.78 MAPT (0.55) MEN1KMT2APOLBRAB9AUSP2
SCHEMBL10476367 0.78 MAPT (0.55) MEN1KMT2APOLBRAB9AUSP2
SCHEMBL5594806 0.78 MAPT (0.62) MEN1KMT2APOLBRAB9AUSP2
SCHEMBL5594804 0.78 MAPT (0.62) MEN1KMT2APOLBRAB9AUSP2
SCHEMBL12351294 0.77 MAPT (0.83) MEN1KMT2APOLBRAB9AUSP2
SCHEMBL14476502 0.75 MAPT (0.86) MEN1KMT2APOLBRAB9AUSP2
SCHEMBL5594708 0.74 MEN1 (1.00) MEN1KMT2APOLBRAB9AUSP2

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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