SCHEMBL3390661

SCHEMBL3390661

CC(C(O)c1ccccc1)N(C)C(=O)c1ccccn1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.54
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 1/20 0.50
NPY5R Q15761 10/20 0.48
AOC3 Q16853 1/20 0.47
NPY2R P49146 1/20 0.46
LMNA P02545 2/20 0.45
MITF O75030 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NAPRT Q6XQN6 1/20 0.45
P4HTM Q9NXG6 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL13819191 1.00 GAA (0.54) GAAALDH1A1KDM4ENPY5RAOC3
SCHEMBL13819023 1.00 GAA (0.54) GAAALDH1A1KDM4ENPY5RAOC3
SCHEMBL13818951 1.00 GAA (0.54) GAAALDH1A1KDM4ENPY5RAOC3
SCHEMBL13819072 0.82 ALDH1A1 (0.43) GAAALDH1A1KDM4ELMNAMITF
SCHEMBL13819341 0.80 KMT2A (0.44) GAAALDH1A1KDM4ELMNAMITF
SCHEMBL12862942 0.80 ALDH1A1 (0.53) GAAALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL4650173 0.79 GAA (0.62) GAAALDH1A1KDM4ENPY5RAOC3
SCHEMBL14008048 0.79 GAA (0.62) GAAALDH1A1KDM4ENPY5RAOC3
SCHEMBL1224784 0.79 GAA (0.62) GAAALDH1A1KDM4ENPY5RAOC3
SCHEMBL14008047 0.79 GAA (0.62) GAAALDH1A1KDM4ENPY5RAOC3

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-2166002-A1 Chiral organic catalysts for the enantioselective reduction of n-alkyl and n-benzyl-substituted alicyclic and cyclic imines UNIVERSITA'DEGLI STUDI DI MILANO (IT) 2010-03-24 EP disclosed