SCHEMBL10476361

SCHEMBL10476361

CCN(CC)c1ccc(C=C(C#N)c2nc3ccccc3[nH]2)c(O)c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 12/20 0.75
▸ MEN1 O00255 11/20 0.75
▸ KMT2A Q03164 11/20 0.75
▸ NPSR1 Q6W5P4 6/20 0.75
▸ SMN1; SMN2 Q16637 5/20 0.75
▸ RAB9A P51151 5/20 0.75
▸ LMNA P02545 3/20 0.75
▸ HTT P42858 4/20 0.73
▸ USP2 O75604 4/20 0.73
▸ GPR35 Q9HC97 3/20 0.73
▸ L3MBTL1 Q9Y468 1/20 0.73
▸ KDM4E B2RXH2 5/20 0.58
▸ HPGD P15428 3/20 0.58
▸ THRB P10828 3/20 0.58
▸ GAA P10253 2/20 0.58
▸ ALDH1A1 P00352 2/20 0.58
▸ POLB P06746 5/20 0.58
▸ NPC1 O15118 4/20 0.58
▸ TDP1 Q9NUW8 1/20 0.58
▸ NSD2 O96028 1/20 0.57

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
SCHEMBL5594463 0.82 MEN1 (0.67) MAPTMEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL10476368 0.77 MEN1 (0.52) MAPTMEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL10476376 0.75 MEN1 (0.67) MAPTMEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL13153929 0.74 MEN1 (0.76) MAPTMEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL5033202 0.74 MAPT (1.00) MAPTMEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL5033211 0.74 MAPT (1.00) MAPTMEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL17717644 0.74 F2 (0.65) MAPTMEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL5594436 0.73 MAPT (0.72) MAPTMEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL5594708 0.73 MEN1 (1.00) MAPTMEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL12881142 0.73 MEN1 (1.00) MAPTMEN1KMT2ANPSR1SMN1; SMN2

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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