SCHEMBL6614799

SCHEMBL6614799

Cc1ccc(C)c(N2CC(OC(=O)Nc3ccc(N(C)C)cc3)CC2=O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.50
ALDH1A1 P00352 6/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
KDM4E B2RXH2 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
HPGD P15428 1/20 0.50
MCL1 Q07820 1/20 0.50
HIF1A Q16665 1/20 0.50
SIGMAR1 Q99720 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
NPC1 O15118 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 2/20 0.37
THRB P10828 1/20 0.37
GFER P55789 1/20 0.37
HTT P42858 1/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.36

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
SCHEMBL6611117 0.91 MAPT (0.41) MAPTALDH1A1SMN1; SMN2KDM4ENPSR1
SCHEMBL6613107 0.90 MAPT (0.44) MAPTALDH1A1SMN1; SMN2KDM4ENPSR1
SCHEMBL6610923 0.89 HSD17B10 (0.42) MAPTALDH1A1SMN1; SMN2KDM4ENPSR1
SCHEMBL6616178 0.89 SMN1; SMN2 (0.47) MAPTALDH1A1SMN1; SMN2NPSR1MEN1
SCHEMBL6613841 0.87 ALDH1A1 (0.39) MAPTALDH1A1SMN1; SMN2KDM4ENPSR1
SCHEMBL6614360 0.87 MEN1 (0.41) MAPTALDH1A1SMN1; SMN2NPSR1MEN1
SCHEMBL6615199 0.87 MAPK1 (0.47) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL6615418 0.86 MAPT (0.38) MAPTALDH1A1SMN1; SMN2KDM4ENPSR1
SCHEMBL6611013 0.86 MAPT (0.39) MAPTALDH1A1SMN1; SMN2KDM4ENPSR1
SCHEMBL6609861 0.86 MAPT (0.41) MAPTALDH1A1SMN1; SMN2KDM4ENPSR1

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