SCHEMBL10476363

SCHEMBL10476363

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 7/20 1.00
▸ KMT2A Q03164 7/20 1.00
▸ POLB P06746 7/20 1.00
▸ RAB9A P51151 4/20 1.00
▸ USP2 O75604 3/20 1.00
▸ NPC1 O15118 2/20 1.00
▸ PKM P14618 1/20 0.84
▸ MAPT P10636 10/20 0.80
▸ TNNI3 P19429 1/20 0.80
▸ TNNT2 P45379 1/20 0.80
▸ RECQL P46063 1/20 0.80
▸ TNNC1 P63316 1/20 0.80
▸ MCOLN3 Q8TDD5 1/20 0.80
▸ BLM P54132 2/20 0.76
▸ NSD2 O96028 1/20 0.76
▸ SMN1; SMN2 Q16637 4/20 0.74
▸ HPGD P15428 3/20 0.74
▸ XBP1 P17861 1/20 0.74
▸ CDC7 O00311 1/20 0.70
▸ PLK4 O00444 1/20 0.70

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
SCHEMBL5594542 0.89 MAPT (1.00) MEN1KMT2APOLBRAB9AUSP2
SCHEMBL5594923 0.88 MEN1 (0.78) MEN1KMT2APOLBRAB9AUSP2
SCHEMBL5594925 0.88 MEN1 (0.78) MEN1KMT2APOLBRAB9AUSP2
SCHEMBL12351294 0.87 MAPT (0.83) MEN1KMT2APOLBRAB9AUSP2
SCHEMBL12881142 0.86 MEN1 (1.00) MEN1KMT2APOLBRAB9AUSP2
SCHEMBL5594708 0.86 MEN1 (1.00) MEN1KMT2APOLBRAB9AUSP2
SCHEMBL14476502 0.84 MAPT (0.86) MEN1KMT2APOLBRAB9AUSP2
SCHEMBL13153929 0.83 MEN1 (0.76) MEN1KMT2APOLBRAB9AUSP2
SCHEMBL12976217 0.83 MEN1 (0.70) MEN1KMT2APOLBRAB9AUSP2
SCHEMBL27983596 0.82 MAPT (0.78) 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 1 patent. 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
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