SCHEMBL954866

SCHEMBL954866

COc1c(-c2ccc3cccc(Br)c3n2)cc(C(C)(C)C)cc1C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.41
BACE1 P56817 1/20 0.35
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
ATM Q13315 1/20 0.32
NQO2 P16083 1/20 0.32
EGFR P00533 1/20 0.32
ERBB2 P04626 1/20 0.32
TDO2 P48775 1/20 0.31
HSP90AA1 P07900 1/20 0.30
ALOX5AP P20292 1/20 0.30
FEN1 P39748 1/20 0.30

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
SCHEMBL12950642 0.84 AR (0.46) ARBACE1HSP90AA1
SCHEMBL956042 0.83 HSP90AA1 (0.45) ARBACE1HSP90AA1
SCHEMBL3278157 0.81 NQO2 (0.37) ARMEN1KMT2ANPC1RAB9A
SCHEMBL935336 0.76 RXRA (0.35)
SCHEMBL13580645 0.73 NQO2 (0.32) NQO2TDO2
SCHEMBL13398891 0.72 TDO2 (0.45) NPC1RAB9ATDO2HSP90AA1
SCHEMBL31759105 0.72 CTSS (0.39) MEN1KMT2AATMTDO2HSP90AA1
SCHEMBL12943838 0.71 RXRA (0.38)
SCHEMBL14817161 0.71 RARG (0.40) HSP90AA1
SCHEMBL1003882 0.70 HSP90AA1 (0.47) ARHSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2456793-A1 CATALYSTS BASED ON 2-(2-ARYLOXY) QUINOLINE OR 2-(2-ARYLOXY) DIHYDROQUNIOLINE LIGANDS Equistar Chemicals, LP (US) 2012-05-30 EP disclosed
EP-2456795-A1 METHOD OF PREPARING NON-METALLOCENE CATALYSTS Equistar Chemicals, LP (US) 2012-05-30 EP disclosed
US-8158733-B2 Catalysts based on 2-(2-aryloxy)quinoline or 2-(2-aryloxy)dihydroquinoline ligands EQUISTAR CHEMICALS, LP (US) 2012-04-17 US disclosed
US-8158733-B2 Catalysts based on 2-(2-aryloxy)quinoline or 2-(2-aryloxy)dihydroquinoline ligands EQUISTAR CHEMICALS, LP (US) 2012-04-17 US disclosed
US-8158733-B2 Catalysts based on 2-(2-aryloxy)quinoline or 2-(2-aryloxy)dihydroquinoline ligands EQUISTAR CHEMICALS, LP (US) 2012-04-17 US disclosed
US-8153544-B2 Method for preparing non-metallocene catalysts EQUISTAR CHEMICALS, LP (US) 2012-04-10 US disclosed
US-8153544-B2 Method for preparing non-metallocene catalysts EQUISTAR CHEMICALS, LP (US) 2012-04-10 US disclosed
US-8153544-B2 Method for preparing non-metallocene catalysts EQUISTAR CHEMICALS, LP (US) 2012-04-10 US disclosed
WO-2011011039-A1 METHOD OF PREPARING NON-METALLOCENE CATALYSTS EQUISTAR CHEMICALS, LP (US) 2011-01-27 WO disclosed
WO-2011011039-A1 METHOD OF PREPARING NON-METALLOCENE CATALYSTS EQUISTAR CHEMICALS, LP (US) 2011-01-27 WO disclosed
US-20110021344-A1 Method for preparing non-metallocene ligands EQUISTAR CHEMICALS, LP 2011-01-27 US disclosed
US-20110021344-A1 Method for preparing non-metallocene ligands EQUISTAR CHEMICALS, LP 2011-01-27 US disclosed
US-20110021344-A1 Method for preparing non-metallocene ligands EQUISTAR CHEMICALS, LP 2011-01-27 US disclosed
US-20110021727-A1 Catalysts based on 2-(2-aryloxy)quinoline or 2-(2-aryloxy)dihydroquinoline ligands EQUISTAR CHEMICALS, LP 2011-01-27 US disclosed
US-20110021727-A1 Catalysts based on 2-(2-aryloxy)quinoline or 2-(2-aryloxy)dihydroquinoline ligands EQUISTAR CHEMICALS, LP 2011-01-27 US disclosed
US-20110021727-A1 Catalysts based on 2-(2-aryloxy)quinoline or 2-(2-aryloxy)dihydroquinoline ligands EQUISTAR CHEMICALS, LP 2011-01-27 US disclosed
WO-2011011040-A1 CATALYSTS BASED ON 2-(2-ARYLOXY) QUINOLINE OR 2-(2-ARYLOXY) DIHYDROQUNIOLINE LIGANDS EQUISTAR CHEMICALS, LP (US) 2011-01-27 WO disclosed
WO-2011011040-A1 CATALYSTS BASED ON 2-(2-ARYLOXY) QUINOLINE OR 2-(2-ARYLOXY) DIHYDROQUNIOLINE LIGANDS EQUISTAR CHEMICALS, LP (US) 2011-01-27 WO disclosed