SCHEMBL13113374

SCHEMBL13113374

C=C/C=C1\C=CN(CC)c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.54
▸ MAPT P10636 7/20 0.54
▸ MEN1 O00255 5/20 0.54
▸ KMT2A Q03164 5/20 0.54
▸ MAPK1 P28482 3/20 0.54
▸ NPSR1 Q6W5P4 3/20 0.54
▸ KDM4E B2RXH2 3/20 0.54
▸ TDP1 Q9NUW8 2/20 0.54
▸ NPC1 O15118 2/20 0.54
▸ RAB9A P51151 2/20 0.54
▸ THRB P10828 2/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ HTT P42858 3/20 0.46
▸ HSD17B10 Q99714 1/20 0.31
▸ TP53 P04637 2/20 0.30
▸ GLA P06280 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ PKM P14618 1/20 0.30
▸ MAPK10 P53779 1/20 0.30

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
SCHEMBL20694546 0.82 ALDH1A1 (0.51) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL13442388 0.82 ALDH1A1 (0.51) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL13113852 0.82 MEN1 (0.53) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL18411904 0.82 MEN1 (0.51) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL14201147 0.80 MEN1 (0.45) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL10036099 0.79 ALDH1A1 (0.58) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL10580973 0.77 MAPT (0.51) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL10580969 0.77 MAPT (0.51) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL14072166 0.76 MEN1 (0.40) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL14072677 0.76 MEN1 (0.40) ALDH1A1MAPTMEN1KMT2AMAPK1

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-1414393-B1 AGENT FOR COLORING KERATIN-CONTAINING FIBRES HENKEL AG & CO KGAA (DE) 2010-10-06 — — EP disclosed
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