SCHEMBL28043669

SCHEMBL28043669

N#Cc1ccccc1B(O)OCl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
ESR2 Q92731 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.33
GAA P10253 6/20 0.33
POLB P06746 1/20 0.33
PDK2 Q15119 1/20 0.32
NOTUM Q6P988 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
ENPP2 Q13822 1/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
GLA P06280 1/20 0.31
IMPDH2 P12268 1/20 0.31
IMPDH1 P20839 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
ORAI1 Q96D31 1/20 0.31

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
SCHEMBL28213045 0.81 TSHR (0.38) TSHRESR2GAAPOLBPDK2
SCHEMBL28813910 0.79 GAA (0.37) TSHRESR2L3MBTL1GAAKDM4E
SCHEMBL11608 0.77 TSHR (0.50) TSHRESR2L3MBTL1GAAPOLB
SCHEMBL29468918 0.77 TSHR (0.50) TSHRESR2L3MBTL1GAAPOLB
SCHEMBL18411232 0.77 GAA (0.43) TSHRL3MBTL1GAAPOLBKDM4E
SCHEMBL840396 0.77 GAA (0.36) TSHRESR2L3MBTL1GAAKDM4E
SCHEMBL1138569 0.75 ESR2 (0.35) TSHRESR2L3MBTL1GAAKDM4E
SCHEMBL16276509 0.74 TSHR (0.46) TSHRESR2L3MBTL1GAAPOLB
SCHEMBL840344 0.73 TSHR (0.35) TSHRESR2GAAPOLBPDK2
SCHEMBL9894281 0.73 GAA (0.33) TSHRESR2L3MBTL1GAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108164513-A Substituted oxo pyridine derivative and its purposes in terms of cardiovascular disorder is treated 拜耳制药股份公司 2018-06-15 CN disclosed
CN-105555767-B Substituted oxo pyridine derivative and its purposes as factor XI, plasma thromboplastin antecedent A/ blood plasma 拜耳制药股份公司 2018-03-23 CN disclosed
CN-105164122-B Substituted oxopyridine derivatives and their use in the treatment of cardiovascular disorders 拜耳制药股份公司 2018-02-02 CN disclosed
CN-105849109-B Substituted oxopyridine derivatives 拜耳制药股份公司 2018-01-23 CN disclosed
CN-106687458-A Substituted oxopyridine derivatives 拜耳制药股份公司 2017-05-17 CN disclosed
CN-103958487-B Benzoic acid derivative as EIF4E inhibitor 霍夫曼-拉罗奇有限公司 2016-07-13 CN disclosed
CN-105555767-A Substituted oxopyridine derivatives and use thereof as factor XIA/plasma Bayer Pharma AG 2016-05-04 CN disclosed
CN-105164122-A Substituted oxopyridine derivatives and their use in the treatment of cardiovascular disorders Bayer Pharma AG 2015-12-16 CN disclosed