SCHEMBL1929490

SCHEMBL1929490

Cn1c2ccc(Br)cc2c2ccc(O)cc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.51
BCHE P06276 2/20 0.51
ALOX5 P09917 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
CYP1A2 P05177 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
WEE1 P30291 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MCL1 Q07820 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
DNM1 Q05193 3/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
EGFR P00533 1/20 0.37
SRC P12931 1/20 0.37
ESR1 P03372 1/20 0.37

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
SCHEMBL9979912 0.83 MAPT (0.43) ACHEBCHECYP1A2CA12CA1
SCHEMBL1921514 0.83 MAPT (0.46) ACHEBCHECYP1A2CA12CA1
SCHEMBL3886263 0.83 BCHE (0.52) ACHEBCHEALOX5PTGS1PTGS2
SCHEMBL12355218 0.81 BCHE (0.53) ACHEBCHEALOX5PTGS1PTGS2
SCHEMBL5014769 0.79 ACHE (0.41) ACHEBCHEKDM4EMCL1EGLN1
SCHEMBL11808516 0.79 BCHE (0.67) ACHEBCHEALOX5PTGS1PTGS2
SCHEMBL29556288 0.79 GPR3 (0.44) ACHEBCHEKDM4EMCL1EGLN1
SCHEMBL3281839 0.79 GPR3 (0.44) ACHEBCHEKDM4EMCL1EGLN1
SCHEMBL12418696 0.79 GPR3 (0.59) ACHEBCHEKDM4EMAPTEGFR
SCHEMBL1538292 0.78 GPR3 (0.64) ACHEBCHEKDM4EMAPTEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8008418-B2 High-molecular copolymer containing metal coordination compound and organic electroluminescence element using the same HITACHI CHEMICAL CO., LTD. (JP) 2011-08-30 US disclosed
US-8008418-B2 High-molecular copolymer containing metal coordination compound and organic electroluminescence element using the same HITACHI CHEMICAL CO., LTD. (JP) 2011-08-30 US disclosed
US-8008418-B2 High-molecular copolymer containing metal coordination compound and organic electroluminescence element using the same HITACHI CHEMICAL CO., LTD. (JP) 2011-08-30 US disclosed
US-7955716-B2 Metal coordination compound, polymer composition, and organic electroluminescent device employing same HITACHI CHEMICAL CO., LTD. (JP) 2011-06-07 US disclosed
US-7955716-B2 Metal coordination compound, polymer composition, and organic electroluminescent device employing same HITACHI CHEMICAL CO., LTD. (JP) 2011-06-07 US disclosed
US-7955716-B2 Metal coordination compound, polymer composition, and organic electroluminescent device employing same HITACHI CHEMICAL CO., LTD. (JP) 2011-06-07 US disclosed
CN-100591708-C High-molecular copolymer containing metal coordination compound and organic electroluminescence element using the same HITACHI CHEMICAL CO LTD 2010-02-24 CN disclosed
CN-100488972-C Metal complex, polymer composition, and organic electroluminescent element using same HITACHI CHEMICAL CO LTD (JP) 2009-05-20 CN disclosed
US-20070128466-A1 Metal coordination compound, polymer composition, and organic electroluminescent device employing same HITACHI CHEMICAL CO., LTD. (JP) 2007-06-07 US disclosed
US-20070128466-A1 Metal coordination compound, polymer composition, and organic electroluminescent device employing same HITACHI CHEMICAL CO., LTD. (JP) 2007-06-07 US disclosed
US-20070128466-A1 Metal coordination compound, polymer composition, and organic electroluminescent device employing same HITACHI CHEMICAL CO., LTD. (JP) 2007-06-07 US disclosed
US-20060287498-A1 High-molecular copolymer containing metal coordination compound and organic electroluminescence element using the same HITACHI CHEMICAL CO LTD (JP) 2006-12-21 US disclosed
CN-1805996-A High-molecular copolymer containing metal coordination compound and organic electroluminescence element using the same HITACHI CHEMICAL CO LTD (JP) 2006-07-19 CN disclosed
CN-1802382-A Metal complex, polymer composition, and organic electroluminescent element using same HITACHI CHEMICAL CO LTD (JP) 2006-07-12 CN disclosed