SCHEMBL28116845

SCHEMBL28116845

O=C1C=C(Cl)C(=O)C([N+](=O)[O-])=C1[N+](=O)[O-]

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.33
AURKA O14965 1/20 0.32
AURKB Q96GD4 1/20 0.32
ALDH1A1 P00352 3/20 0.31
TSHR P16473 2/20 0.31
PTPN1 P18031 1/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
ALOX12 P18054 1/20 0.30
RECQL P46063 1/20 0.30
KMT2A Q03164 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
SCHEMBL28087319 0.76 PTPN1 (0.31) PTPN1MEN1KMT2A
Fluoride SCHEMBL27989007 0.74 PTPN1 (0.30) PTPN1
SCHEMBL28102535 0.74 TP53 (0.31) TSHRPTPN1HPGD
SCHEMBL28116419 0.74 PTPRC (0.33) PTPN1
SCHEMBL28106638 0.71 TDP1 (0.31) TDP1
SCHEMBL28087314 0.71 ALDH1A1 (0.44) TDP1ALDH1A1TSHRMEN1MAPT
SCHEMBL9118341 0.68 LMNA (0.33) TDP1ALDH1A1TSHRMEN1MAPT
SCHEMBL28087232 0.66 ALDH1A1 (0.37) TDP1ALDH1A1TSHRMEN1MAPT
SCHEMBL28087317 0.64 ALDH1A1 (0.42) TDP1ALDH1A1TSHRMEN1MAPT
SCHEMBL9655481 0.64 CA12 (0.41) ALDH1A1MEN1MAPTHPGDKMT2A

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-106146710-B Cationic polymerization method 中国石油化工股份有限公司 2018-12-28 CN disclosed
CN-104558344-B Cationic polymerization initiator system, application thereof and cationic polymerization method 中国石油化工股份有限公司 2017-02-15 CN disclosed
CN-104974291-B Cationic polymerization method 中国石油化工股份有限公司 2017-02-15 CN disclosed
CN-104558342-B Cationic polymerization method 中国石油化工股份有限公司 2017-02-01 CN disclosed
CN-104558341-B Cationic polymerization initiator system, application thereof and cationic polymerization method 中国石油化工股份有限公司 2017-02-01 CN disclosed
CN-104974290-B Cationic polymerization method 中国石油化工股份有限公司 2017-01-25 CN disclosed
CN-104558343-B Cationic polymerization method 中国石油化工股份有限公司 2017-01-25 CN disclosed
CN-104974292-B Cationic polymerization method 中国石油化工股份有限公司 2017-01-25 CN disclosed