SCHEMBL6609944

SCHEMBL6609944

CN(C)c1ccc(NC(=O)OC2CC(=O)N(c3ccccc3)C2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
NPSR1 Q6W5P4 2/20 0.49
MCL1 Q07820 2/20 0.49
HPGD P15428 1/20 0.49
HIF1A Q16665 1/20 0.49
TDP1 Q9NUW8 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
THRB P10828 1/20 0.49
GFER P55789 1/20 0.49
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44

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
SCHEMBL6625375 0.88 MAPT (0.52) MAPTALDH1A1KDM4ESMN1; SMN2NPSR1
SCHEMBL6610317 0.84 HPGD (0.49) MAPTSMN1; SMN2HPGDTDP1CA12
SCHEMBL6610605 0.83 ACHE (0.49) MAPTALDH1A1KDM4ESMN1; SMN2NPSR1
SCHEMBL6609781 0.81 ALDH1A1 (0.46) MAPTALDH1A1KDM4ESMN1; SMN2NPSR1
SCHEMBL5843350 0.81 MAPT (0.72) MAPTALDH1A1KDM4ESMN1; SMN2NPSR1
SCHEMBL6611922 0.80 ALDH1A1 (0.48) MAPTALDH1A1KDM4ESMN1; SMN2NPSR1
SCHEMBL6614799 0.80 MAPT (0.50) MAPTALDH1A1KDM4ESMN1; SMN2NPSR1
SCHEMBL6614762 0.79 MGLL (0.60) MAPTALDH1A1MEN1KMT2ATSHR
SCHEMBL6613763 0.78 MAPT (0.52) MAPTALDH1A1NPSR1TP53LMNA
SCHEMBL6614279 0.78 ALOX15 (0.51) MAPTALDH1A1SMN1; SMN2MEN1KMT2A

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