Sugi Predict

Sugi Predict / Compounds / SCHEMBL28087221

SCHEMBL28087221

SCHEMBL28087221

N#CC1=C(C#N)C(=O)C([N+](=O)[O-])=C([N+](=O)[O-])C1=O

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ VCAM1 P19320 5/20 0.37
▸ CYP1A2 P05177 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ GRIA1 P42261 1/20 0.32
▸ GRIA2 P42262 1/20 0.32
▸ GRIA3 P42263 1/20 0.32
▸ GRIA4 P48058 1/20 0.32
▸ GRIN2D O15399 1/20 0.30
▸ GRIN3B O60391 1/20 0.30
▸ GRIN1 Q05586 1/20 0.30
▸ GRIN2A Q12879 1/20 0.30
▸ GRIN2B Q13224 1/20 0.30
▸ GRIN2C Q14957 1/20 0.30
▸ GRIN3A Q8TCU5 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
SCHEMBL28116784 0.91 VCAM1 (0.34) VCAM1CYP1A2MAPTALOX15GRIA1
SCHEMBL28087235 0.90 VCAM1 (0.37) VCAM1CYP1A2MAPTALOX15GRIA1
SCHEMBL28087220 0.83 VCAM1 (0.35) VCAM1CYP1A2MAPTALOX15GRIA1
SCHEMBL15765937 0.72 ALDH1A1 (0.43) CYP1A2MAPT
SCHEMBL615573 0.71 MEN1 (0.31) MAPTALOX15
Methane SCHEMBL1176537 0.68 ALOX15 (0.30) ALOX15
SCHEMBL7873488 0.68 ALOX15 (0.30) ALOX15
SCHEMBL9812268 0.68 ALOX15 (0.30) ALOX15
Methane SCHEMBL10770788 0.66 — —
Methane SCHEMBL27597461 0.66 — —

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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106146704-B Preparation method of halogenated polymer 中国石油化工股份有限公司 2018-12-28 — — CN disclosed
CN-106146710-B Cationic polymerization method 中国石油化工股份有限公司 2018-12-28 — — CN disclosed
CN-106317349-B Styrene-isomonoolefin-styrene triblock copolymer and preparation method thereof 中国石油化工股份有限公司 2018-11-02 — — CN disclosed
CN-106146703-B Cationic polymerization method 中国石油化工股份有限公司 2018-10-16 — — CN disclosed
CN-106146698-B Preparation method of halogenated polymer 中国石油化工股份有限公司 2018-10-16 — — CN disclosed
CN-106146696-B Cationic polymerization method 中国石油化工股份有限公司 2018-10-16 — — CN disclosed
CN-106146707-B Preparation method of halogenated polymer 中国石油化工股份有限公司 2018-09-21 — — CN disclosed
CN-106146697-B Cationic polymerization method 中国石油化工股份有限公司 2018-09-21 — — CN disclosed
CN-106146706-B Cationic polymerization method 中国石油化工股份有限公司 2018-09-21 — — CN disclosed
CN-106146701-B Preparation method of halogenated polymer 中国石油化工股份有限公司 2018-09-21 — — 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-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-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-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-106146711-A Cationic polymerization method 中国石油化工股份有限公司 2016-11-23 — — CN disclosed
CN-106146710-A Cationic polymerization method 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-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-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