SCHEMBL11740232

SCHEMBL11740232

CN(C)c1ccc(/C=C(/[C]=O)C#N)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.80
MEN1 O00255 9/20 0.80
KMT2A Q03164 9/20 0.80
MAPT P10636 8/20 0.80
L3MBTL1 Q9Y468 3/20 0.54
RAB9A P51151 2/20 0.54
APP P05067 2/20 0.54
MAPK1 P28482 1/20 0.54
LMNA P02545 3/20 0.53
KDM4E B2RXH2 3/20 0.53
NPSR1 Q6W5P4 2/20 0.53
POLB P06746 1/20 0.53
EGFR P00533 1/20 0.50
MITF O75030 2/20 0.48
NPC1 O15118 1/20 0.48
THRB P10828 1/20 0.47
CISD1 Q9NZ45 1/20 0.47
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
JAK2 O60674 1/20 0.46

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
SCHEMBL11740240 1.00 ALDH1A1 (0.80) ALDH1A1MEN1KMT2AMAPTL3MBTL1
SCHEMBL1227106 0.89 MAPT (1.00) ALDH1A1MEN1KMT2AMAPTL3MBTL1
SCHEMBL6003482 0.84 MAPT (0.89) ALDH1A1MEN1KMT2AMAPTL3MBTL1
SCHEMBL13913968 0.84 MAPT (0.89) ALDH1A1MEN1KMT2AMAPTL3MBTL1
SCHEMBL13904925 0.81 MAPT (0.83) ALDH1A1MEN1KMT2AMAPTL3MBTL1
SCHEMBL19469440 0.80 KMT2A (0.59) ALDH1A1MEN1KMT2AMAPTL3MBTL1
SCHEMBL6003816 0.80 KMT2A (0.81) ALDH1A1MEN1KMT2AMAPTL3MBTL1
SCHEMBL3716115 0.78 MEN1 (0.77) ALDH1A1MEN1KMT2AMAPTL3MBTL1
SCHEMBL3716116 0.78 MEN1 (0.77) ALDH1A1MEN1KMT2AMAPTL3MBTL1
SCHEMBL8861141 0.77 MAPT (0.55) ALDH1A1MEN1KMT2AMAPTL3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4017486-A Cationic alpha-cyano-p-dimethylaminocinnamoyl dyes and paper dyed therewith AMERICAN CYANAMID COMPANY (US) 1977-04-12 US disclosed
US-4017486-A Cationic alpha-cyano-p-dimethylaminocinnamoyl dyes and paper dyed therewith AMERICAN CYANAMID COMPANY (US) 1977-04-12 US disclosed