SCHEMBL2769294

SCHEMBL2769294

COc1cc(CNc2noc3ccccc23)c(OCc2ccccc2)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.46
HPGD P15428 2/20 0.46
HTT P42858 2/20 0.46
KDM4E B2RXH2 2/20 0.46
LMNA P02545 2/20 0.46
LCK P06239 1/20 0.45
EPHX2 P34913 1/20 0.44
KCNA5 P22460 1/20 0.43
MAPK1 P28482 2/20 0.42
MRGPRX1 Q96LB2 1/20 0.41
ALDH1A1 P00352 2/20 0.41
KAT6A Q92794 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SGMS2 Q8NHU3 1/20 0.40
ACHE P22303 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
SCHEMBL2767350 0.89 KDM4E (0.48) EGFRHPGDHTTKDM4ELMNA
SCHEMBL2767665 0.89 EPHX2 (0.48) HPGDHTTKDM4ELMNAEPHX2
SCHEMBL2768384 0.87 KCNA5 (0.53) EGFRHPGDHTTKDM4ELMNA
SCHEMBL2767262 0.83 KCNA5 (0.42) EGFRHPGDHTTKDM4ELMNA
SCHEMBL3552916 0.82 EPHX2 (0.39) EGFRHPGDHTTKDM4ELMNA
SCHEMBL3563879 0.80 EPHX2 (0.47) HPGDKDM4ELMNAEPHX2MAPK1
SCHEMBL3564340 0.76 LMNA (0.44) EGFRHPGDHTTKDM4ELMNA
SCHEMBL4933048 0.70 HIF1A (0.41) KDM4ELMNAMAPK1ALDH1A1MEN1
SCHEMBL2196960 0.69 CYP1A2 (0.60) EGFRHPGDHTTKDM4ELMNA
SCHEMBL13202717 0.69 BCHE (0.44) HTTKDM4ELMNAMAPK1ALDH1A1

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-1881967-B1 SUBSTITUTED BENZO(D)ISOXAZOL-3-YL AMINE COMPOUNDS AS ANALGESICS GRUENENTHAL GMBH (DE) 2010-04-28 EP claimed
EP-1881967-A1 SUBSTITUTED BENZO(D)ISOXAZOL-3-YL AMINE COMPOUNDS AS ANALGESICS Grünenthal GmbH (DE) 2008-01-30 EP claimed
WO-2006122800-A1 SUBSTITUTED BENZO(D)ISOXAZOL-3-YL AMINE COMPOUNDS AS ANALGESICS Grünenthal GmbH (DE) 2006-11-23 WO claimed
EP-1881967-B1 SUBSTITUTED BENZO(D)ISOXAZOL-3-YL AMINE COMPOUNDS AS ANALGESICS GRUENENTHAL GMBH (DE) 2010-04-28 EP disclosed
EP-1881967-A1 SUBSTITUTED BENZO(D)ISOXAZOL-3-YL AMINE COMPOUNDS AS ANALGESICS Grünenthal GmbH (DE) 2008-01-30 EP disclosed
WO-2006122800-A1 SUBSTITUTED BENZO(D)ISOXAZOL-3-YL AMINE COMPOUNDS AS ANALGESICS Grünenthal GmbH (DE) 2006-11-23 WO disclosed