SCHEMBL28087236

SCHEMBL28087236

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

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 2/20 0.33
TRPV1 Q8NER1 1/20 0.33
CYP1A2 P05177 1/20 0.32
ALDH1A1 P00352 1/20 0.31
GLA P06280 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
CACNA1B Q00975 1/20 0.31
APBA1 Q02410 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
PTPRC P08575 1/20 0.30
BCHE P06276 1/20 0.30
ACHE P22303 1/20 0.30
CES1 P23141 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
SCHEMBL28087322 0.88 S100A4 (0.33) S100A4TRPV1CYP1A2ALDH1A1GLA
SCHEMBL28087248 0.80 CYP1A2 (0.31) CYP1A2ALDH1A1GLA
SCHEMBL28116419 0.71 PTPRC (0.33) CYP1A2PTPRC
SCHEMBL28087314 0.71 ALDH1A1 (0.44) S100A4ALDH1A1L3MBTL1MEN1POLB
SCHEMBL28087313 0.71 TP53 (0.32) S100A4L3MBTL1MEN1POLBCACNA1B
SCHEMBL28087221 0.65 VCAM1 (0.37) CYP1A2
SCHEMBL10623346 0.65 ALDH1A1 (0.55) S100A4CYP1A2ALDH1A1MEN1POLB
SCHEMBL3134949 0.65 MEN1 (0.47) CYP1A2ALDH1A1L3MBTL1MEN1POLB
SCHEMBL28087232 0.65 ALDH1A1 (0.37) S100A4ALDH1A1MEN1POLBCACNA1B
SCHEMBL28102662 0.65 TP53 (0.32) S100A4MEN1POLBCACNA1BAPBA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106317349-A Styrene-isomonoolefin-styrene triblock copolymer and preparation method thereof 中国石油化工股份有限公司 2017-01-11 CN disclosed
CN-106146706-A Cationic polymerization method 中国石油化工股份有限公司 2016-11-23 CN disclosed
CN-106146704-A Preparation method of halogenated polymer 中国石油化工股份有限公司 2016-11-23 CN disclosed
CN-106146705-A Preparation method of halogenated polymer 中国石油化工股份有限公司 2016-11-23 CN disclosed
CN-106146703-A Cationic polymerization method 中国石油化工股份有限公司 2016-11-23 CN disclosed
CN-106146700-A Preparation method of halogenated polymer 中国石油化工股份有限公司 2016-11-23 CN disclosed
CN-106146697-A Cationic polymerization method 中国石油化工股份有限公司 2016-11-23 CN disclosed
CN-106146711-A Cationic polymerization method 中国石油化工股份有限公司 2016-11-23 CN disclosed
CN-106146701-A Preparation method of halogenated polymer 中国石油化工股份有限公司 2016-11-23 CN disclosed
CN-106146699-A Preparation method of halogenated polymer 中国石油化工股份有限公司 2016-11-23 CN disclosed
CN-106146696-A Cationic polymerization method 中国石油化工股份有限公司 2016-11-23 CN disclosed
CN-106146708-A Cationic polymerization method 中国石油化工股份有限公司 2016-11-23 CN disclosed
CN-106146707-A Preparation method of halogenated polymer 中国石油化工股份有限公司 2016-11-23 CN disclosed
CN-106146709-A Cationic polymerization method 中国石油化工股份有限公司 2016-11-23 CN disclosed
CN-106032399-A Star block copolymer and preparation method thereof 中国石油化工股份有限公司 2016-10-19 CN disclosed