SCHEMBL11570308

SCHEMBL11570308

Cc1cccc(C(NC(=O)CN2CCCC2=O)NC(=O)CN2CCCC2=O)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.56
HTT P42858 1/20 0.52
KMT2A Q03164 1/20 0.50
ALDH1A1 P00352 2/20 0.43
NQO2 P16083 1/20 0.43
ATAD2 Q6PL18 1/20 0.42
CECR2 Q9BXF3 1/20 0.42
RAB9A P51151 2/20 0.41
TSHR P16473 1/20 0.41
NPC1 O15118 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPK14 Q16539 1/20 0.41
MAP4K4 O95819 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
SCHEMBL17896872 0.81 HTT (0.71) LMNAHTTALDH1A1ATAD2CECR2
SCHEMBL20792617 0.76 LMNA (0.39) LMNAHTTKMT2AALDH1A1RAB9A
SCHEMBL18626563 0.76 HTT (0.66) LMNAHTTKMT2AALDH1A1ATAD2
SCHEMBL20666231 0.75 LMNA (0.64) LMNAHTTKMT2AALDH1A1NQO2
SCHEMBL11511345 0.75 LMNA (0.58) LMNAHTTALDH1A1NQO2NPC1
SCHEMBL11513986 0.74 HTT (0.60) LMNAHTTKMT2AALDH1A1NQO2
Nefiracetam SCHEMBL135856 0.73 HTT (0.66) LMNAHTTKMT2AALDH1A1ATAD2
SCHEMBL2998036 0.72 HTT (0.58) LMNAHTTALDH1A1RAB9ANPC1
SCHEMBL20666108 0.71 LMNA (0.59) LMNAHTTKMT2AALDH1A1ATAD2
SCHEMBL21988615 0.71 LMNA (0.58) LMNAHTTKMT2ARAB9ANPC1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0003029-A2 New 2-oxo-1-pyrrolidine acetic acid derivatives, process for their preparation, medicaments containing them and process for their preparation Troponwerke GmbH & Co. KG (DE) 1979-07-25 EP disclosed