SCHEMBL28087232

SCHEMBL28087232

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
TSHR P16473 4/20 0.37
TDP1 Q9NUW8 3/20 0.37
BCHE P06276 3/20 0.37
ACHE P22303 3/20 0.37
CES1 P23141 3/20 0.37
CES2 O00748 2/20 0.37
HSD17B10 Q99714 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPK1 P28482 2/20 0.37
KDM4E B2RXH2 1/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37
RECQL P46063 1/20 0.37
HIF1A Q16665 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
SCHEMBL28087317 0.92 ALDH1A1 (0.42) ALDH1A1TSHRTDP1BCHEACHE
SCHEMBL28087314 0.88 ALDH1A1 (0.44) ALDH1A1TSHRTDP1BCHEACHE
SCHEMBL28106638 0.73 TDP1 (0.31) TDP1
SCHEMBL28222814 0.73 TDP1 (0.31) TDP1
SCHEMBL9452591 0.71 IDO1 (0.50) ALDH1A1TSHRBCHEACHECES1
SCHEMBL28087236 0.65 S100A4 (0.33) ALDH1A1BCHEACHECES1MEN1
SCHEMBL28087322 0.65 S100A4 (0.33) ALDH1A1BCHEACHECES1MEN1
SCHEMBL3134949 0.65 MEN1 (0.47) ALDH1A1TSHRTDP1HSD17B10MEN1
SCHEMBL28087313 0.65 TP53 (0.32) TSHRTDP1BCHEACHECES1
SCHEMBL28102662 0.65 TP53 (0.32) TSHRTDP1BCHEACHECES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106146706-A Cationic polymerization method 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-106146711-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-106146696-A Cationic polymerization method 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