SCHEMBL6614360

SCHEMBL6614360

CC(=O)c1ccc(NC(=O)OC2CC(=O)N(c3cc(C)ccc3C)C2)cc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 5/20 0.41
HSD17B10 Q99714 2/20 0.40
LMNA P02545 2/20 0.40
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL6616178 0.92 SMN1; SMN2 (0.47) MEN1KMT2AALDH1A1MAPTHSD17B10
SCHEMBL6610923 0.90 HSD17B10 (0.42) MEN1KMT2AALDH1A1MAPTHSD17B10
SCHEMBL6615199 0.88 MAPK1 (0.47) MEN1KMT2AALDH1A1MAPTHSD17B10
SCHEMBL6610439 0.87 MAPT (0.45) MEN1KMT2ARAB9AALDH1A1MAPT
SCHEMBL6614799 0.87 MAPT (0.50) MEN1KMT2AALDH1A1MAPTHSD17B10
SCHEMBL6611273 0.87 MAPT (0.48) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL6608759 0.87 MAPT (0.43) MEN1KMT2ARAB9AALDH1A1MAPT
SCHEMBL6608607 0.87 HSD17B10 (0.40) MEN1KMT2ARAB9AALDH1A1MAPT
SCHEMBL6609911 0.87 MAPT (0.43) ALDH1A1MAPTHSD17B10LMNASMN1; SMN2
SCHEMBL6609407 0.87 MAPT (0.54) MEN1KMT2ARAB9AALDH1A1MAPT

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