SCHEMBL6616178

SCHEMBL6616178

CC(=O)Nc1ccc(NC(=O)OC2CC(=O)N(c3cc(C)ccc3C)C2)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.47
MAPT P10636 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.47
ALDH1A1 P00352 4/20 0.47
NPSR1 Q6W5P4 1/20 0.47
GAA P10253 1/20 0.42
HSD17B10 Q99714 1/20 0.42
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL6614360 0.92 MEN1 (0.41) SMN1; SMN2MAPTMEN1KMT2ALMNA
SCHEMBL6610923 0.92 HSD17B10 (0.42) SMN1; SMN2MAPTMEN1KMT2ALMNA
SCHEMBL6615199 0.90 MAPK1 (0.47) SMN1; SMN2MAPTMEN1KMT2AALDH1A1
SCHEMBL6609911 0.89 MAPT (0.43) SMN1; SMN2MAPTLMNAALDH1A1NPSR1
SCHEMBL6611273 0.89 MAPT (0.48) SMN1; SMN2MAPTMEN1KMT2AALDH1A1
SCHEMBL6608607 0.89 HSD17B10 (0.40) SMN1; SMN2MAPTMEN1KMT2ALMNA
SCHEMBL6614799 0.89 MAPT (0.50) SMN1; SMN2MAPTMEN1KMT2ALMNA
SCHEMBL6608759 0.89 MAPT (0.43) SMN1; SMN2MAPTMEN1KMT2ALMNA
SCHEMBL6609572 0.88 NPC1 (0.46) SMN1; SMN2MAPTMEN1KMT2ALMNA
SCHEMBL6613107 0.87 MAPT (0.44) SMN1; SMN2MAPTLMNATSHRALDH1A1

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