SCHEMBL6610259

SCHEMBL6610259

Cc1cc(C)nc(N(C)c2ccc(NC(=O)OC3CC(=O)N(CC(O)c4ccccc4)C3)cc2)n1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.37
ALDH1A1 P00352 6/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
BCHE P06276 4/20 0.35
MAOB P27338 2/20 0.35
USP2 O75604 1/20 0.35
PKM P14618 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
HPGD P15428 1/20 0.33
GFER P55789 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL6609711 0.91 ALDH1A1 (0.39) ACHEALDH1A1LMNAHTTL3MBTL1
SCHEMBL5841923 0.87 ALDH1A1 (0.51) ALDH1A1LMNAHTTL3MBTL1PKM
SCHEMBL6615771 0.87 ALDH1A1 (0.42) ACHEALDH1A1L3MBTL1BCHEMAOB
SCHEMBL6614115 0.87 ALDH1A1 (0.49) ALDH1A1LMNAHTTL3MBTL1BCHE
SCHEMBL6612851 0.85 SMN1; SMN2 (0.42) ALDH1A1LMNAHTTL3MBTL1BCHE
SCHEMBL6665701 0.82 ALDH1A1 (0.36) ALDH1A1LMNAHTTL3MBTL1MEN1
SCHEMBL6617086 0.81 KMT2A (0.36) ACHEALDH1A1LMNAMEN1KMT2A
SCHEMBL6610932 0.81 BCHE (0.45) ACHEBCHEMAOBPKMMEN1
SCHEMBL6612748 0.79 RXFP3 (0.38) ALDH1A1LMNAL3MBTL1MEN1KMT2A
SCHEMBL6613611 0.79 ACHE (0.42) ACHEALDH1A1L3MBTL1BCHEUSP2

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
EP-1463724-A1 PYRROLIDONE CARBOXAMIDES Actelion Pharmaceuticals Ltd. (CH) 2004-10-06 EP disclosed
WO-2003059905-A1 PYRROLIDONE CARBOXAMIDES ACTELION PHARMACEUTICALS LTD (CH) 2003-07-24 WO disclosed