SCHEMBL873981

SCHEMBL873981

CC(C)OCOc1cccc(Br)c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.51
KDM4E B2RXH2 3/20 0.48
HSD17B10 Q99714 1/20 0.48
ALDH1A1 P00352 3/20 0.46
LMNA P02545 1/20 0.44
RAB9A P51151 2/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SOD1 P00441 1/20 0.43
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.41

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
SCHEMBL7865859 0.87 NPSR1 (0.44) MAOBKDM4EALDH1A1LMNAL3MBTL1
SCHEMBL19384613 0.84 KDM4E (0.51) MAOBKDM4EHSD17B10ALDH1A1LMNA
SCHEMBL873385 0.82 MAOB (0.51) MAOBKDM4EHSD17B10ALDH1A1LMNA
SCHEMBL30788655 0.79 MAOB (0.56) MAOBKDM4EHSD17B10ALDH1A1LMNA
SCHEMBL943678 0.79 MAOB (0.56) MAOBKDM4EHSD17B10ALDH1A1LMNA
SCHEMBL4960444 0.79 APP (0.39) KDM4EALDH1A1
SCHEMBL4349792 0.78 MAOB (0.55) MAOBKDM4EHSD17B10ALDH1A1LMNA
SCHEMBL5702516 0.77 LMNA (0.52) ALDH1A1LMNA
SCHEMBL4653072 0.76 MAOB (0.53) MAOBKDM4EHSD17B10ALDH1A1LMNA
SCHEMBL9324039 0.75 MAOB (0.51) MAOBKDM4EHSD17B10ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2643000-A2 THERAPEUTIC PIPERAZINES Dart Neuroscience (Cayman) Ltd (KY) 2013-10-02 EP disclosed
WO-2012040258-A2 THERAPEUTIC PIPERAZINES HELICON THERAPEUTICS, INC. (US) 2012-03-29 WO disclosed
EP-2222674-A1 AMINO TRIAZOLES AS PI3K INHIBITORS Cellzome Limited (GB) 2010-09-01 EP disclosed
WO-2009068482-A1 AMINO TRIAZOLES AS PI3K INHIBITORS CELLZOME LIMITED (GB) 2009-06-04 WO disclosed
EP-1981876-A1 TRIAZOLOANILINOPYRIMIDINE DERIVATIVES FOR USE AS ANTIVIRAL AGENTS Arrow Therapeutics Limited (GB) 2008-10-22 EP disclosed
WO-2007080401-A1 TRIAZOLOANILINOPYRIMIDINE DERIVATIVES FOR USE AS ANTIVIRAL AGENTS ARROW THERAPEUTICS LIMITED (GB) 2007-07-19 WO disclosed