SCHEMBL3694428

SCHEMBL3694428

CCCC/C(=C/C#N)N1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPT P10636 2/20 0.34
POLB P06746 1/20 0.34
LMNA P02545 1/20 0.33
ALDH1A1 P00352 2/20 0.32
HPGD P15428 1/20 0.32
LIPE Q05469 1/20 0.31
ATM Q13315 1/20 0.31

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
SCHEMBL3694429 1.00 L3MBTL1 (0.43) L3MBTL1MEN1KMT2ATDP1MAPT
SCHEMBL3309044 0.77 MEN1 (0.47) L3MBTL1MEN1KMT2ATDP1MAPT
SCHEMBL3309052 0.77 MEN1 (0.47) L3MBTL1MEN1KMT2ATDP1MAPT
SCHEMBL3306009 0.74 L3MBTL1 (0.46) L3MBTL1MEN1KMT2ATDP1MAPT
SCHEMBL3306000 0.74 L3MBTL1 (0.46) L3MBTL1MEN1KMT2ATDP1MAPT
SCHEMBL21451609 0.73 L3MBTL1 (0.44) L3MBTL1MEN1KMT2ATDP1MAPT
SCHEMBL148563 0.67 ALDH1A1 (0.35) LMNAALDH1A1HPGD
SCHEMBL152263 0.67 ALDH1A1 (0.35) LMNAALDH1A1HPGD
SCHEMBL148562 0.67 ALDH1A1 (0.35) LMNAALDH1A1HPGD
SCHEMBL30595741 0.66 CES1 (0.37) MEN1KMT2ALMNAALDH1A1

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-2452938-A1 Process for the preparation of 3-aroyl-5-aminobenzofuran derivatives LEK Pharmaceuticals d.d. (SI) 2012-05-16 EP disclosed