SCHEMBL8125697

SCHEMBL8125697

CC(C)(C)OC(=O)NCCCNc1c([N+](=O)[O-])c(Cl)nc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BCHE P06276 6/20 0.47
ACHE P22303 5/20 0.47
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
GAA P10253 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
STK17B O94768 1/20 0.45
STK17A Q9UEE5 1/20 0.45
BRD4 O60885 3/20 0.45
ACACB O00763 1/20 0.44
ACACA Q13085 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
SCHEMBL8137366 0.98 BCHE (0.47) BCHEACHEMEN1NPC1GAA
SCHEMBL843596 0.94 BCHE (0.49) BCHEACHEMEN1NPC1GAA
SCHEMBL31037654 0.90 MEN1 (0.46) BCHEACHEMEN1NPC1GAA
SCHEMBL212541 0.87 EGFR (0.55) BCHEMEN1NPC1GAARAB9A
SCHEMBL29381474 0.87 EGFR (0.55) BCHEMEN1NPC1GAARAB9A
SCHEMBL31337604 0.85 BRD4 (0.44) BCHEACHESTK17BSTK17ABRD4
SCHEMBL22445116 0.85 BRD4 (0.46) STK17BSTK17ABRD4
SCHEMBL212372 0.85 EGFR (0.48) MEN1NPC1GAARAB9AKMT2A
SCHEMBL8126430 0.85 HTT (0.46) BCHEACHEBRD4
SCHEMBL2744402 0.84 MEN1 (0.47) BCHEACHEMEN1NPC1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110142874-A1 Compositions, Methods, and Kits for Eliciting an Immune Response ARIZONA BOARD OF REGENTS (US) 2011-06-16 US disclosed
US-6069149-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS TERUMO KABUSHIKI KAISHA (JP) 2000-05-30 US disclosed
EP-0894797-A1 NOVEL AMIDE DERIVATIVES AND INTERMEDIATES FOR THE SYNTHESIS THEREOF TERUMO KABUSHIKI KAISHA (JP) 1999-02-03 EP disclosed