SCHEMBL2010355

SCHEMBL2010355

Oc1cc(CBr)c2ccccc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.55
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
MPI P34949 1/20 0.48
KMT2A Q03164 1/20 0.48
TRPM4 Q8TD43 1/20 0.42
CDC25B P30305 2/20 0.41
CYP1A2 P05177 1/20 0.40
AKR1B1 P15121 1/20 0.39
ADRB2 P07550 4/20 0.38
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
HIF1A Q16665 1/20 0.37
CYP1B1 Q16678 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HTR2A P28223 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL7943832 0.83 NQO2 (0.59) NQO2ALDH1A1KDM4EMEN1MAPT
SCHEMBL8782470 0.83 NQO2 (0.59) NQO2ALDH1A1KDM4EMEN1MAPT
SCHEMBL3959232 0.80 NQO2 (0.55) NQO2ALDH1A1KDM4EMEN1MAPT
SCHEMBL21585548 0.80 NQO2 (0.55) NQO2ALDH1A1KDM4EMEN1MAPT
SCHEMBL8782950 0.80 NQO2 (0.55) NQO2ALDH1A1KDM4EMEN1MAPT
SCHEMBL14626630 0.79 NQO2 (0.50) NQO2ALDH1A1KDM4EMEN1MAPT
SCHEMBL17986704 0.78 ALDH1A1 (0.41) NQO2ALDH1A1TRPM4CYP1A2AKR1B1
SCHEMBL31621523 0.78 ALDH1A1 (0.41) NQO2ALDH1A1TRPM4CYP1A2AKR1B1
SCHEMBL10436098 0.77 NQO2 (0.52) NQO2ALDH1A1KDM4EMEN1MAPT
SCHEMBL1294408 0.77 TRPM4 (0.46) ALDH1A1KDM4EMEN1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1857471-B1 POLYMERIZATION CATALYST COMPOSITION AND PROCESS FOR PRODUCTION OF POLYMER MITSUI CHEMICALS INC (JP) 2013-04-24 EP disclosed
US-7960305-B2 a mixture of a phosphazenium compound such as tetrakis[tris(dimethylamino)phosphoranylideneamino]phosphonium chloride, transition metal halides and an organic halogen compound as an activator, used for addition homo/copolymerization; living polymers MITSUI CHEMICALS, INC. (JP) 2011-06-14 US disclosed
US-20080177014-A1 Polymerization Catalyst Composition and Process for Production of Polymer MITSUI CHEMICALS, INC. (JP) 2008-07-24 US disclosed
EP-1857471-A1 POLYMERIZATION CATALYST COMPOSITION AND PROCESS FOR PRODUCTION OF POLYMER Mitsui Chemicals, Inc. (JP) 2007-11-21 EP disclosed
US-4308407-A Chemical process ETHYL CORPORATION (US) 1981-12-29 US disclosed