SCHEMBL8530977

SCHEMBL8530977

O=C(CC(=O)Nc1ccccc1)C[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.53
ALDH1A1 P00352 3/20 0.53
KDM1A O60341 1/20 0.49
EPHX2 P34913 1/20 0.49
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CYP2C19 P33261 1/20 0.47
HDAC3 O15379 2/20 0.46
HDAC4 P56524 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC7 Q8WUI4 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC10 Q969S8 2/20 0.46
HDAC11 Q96DB2 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC9 Q9UKV0 2/20 0.46
HDAC5 Q9UQL6 2/20 0.46
MAOB P27338 1/20 0.46

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
SCHEMBL733776 0.87 EPHX2 (0.53) MAPTALDH1A1KDM1AEPHX2CYP1A2
SCHEMBL9641130 0.83 POLB (0.62) MAPTALDH1A1SMN1; SMN2HDAC3HDAC4
SCHEMBL28156863 0.81 EPHX2 (0.47) MAPTALDH1A1KDM1AEPHX2CYP1A2
SCHEMBL27538195 0.81 EPHX2 (0.63) MAPTKDM1AEPHX2CYP3A4SMN1; SMN2
SCHEMBL9639894 0.80 EPHX2 (0.51) MAPTALDH1A1EPHX2CYP1A2CYP3A4
SCHEMBL7428098 0.78 ALDH1A1 (0.60) MAPTALDH1A1SMN1; SMN2HDAC3HDAC4
SCHEMBL8509315 0.77 HDAC4 (0.57) MAPTCYP1A2CYP3A4CYP2C19HDAC3
SCHEMBL1689206 0.77 EPHX2 (0.68) MAPTKDM1AEPHX2CYP3A4SMN1; SMN2
SCHEMBL9001575 0.76 EPHX2 (0.57) MAPTKDM1AEPHX2CYP3A4SMN1; SMN2
SCHEMBL10774471 0.76 HDAC4 (0.58) MAPTKDM1AEPHX2SMN1; SMN2HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-214915972-U Reaction kettle for p-chloro-o-nitro acetoacetanilide 湖北丰杯生物科技有限公司 2021-11-30 CN claimed
WO-2011151701-A1 6 - METHYL - 4 - PHENYL - 5 - ( PHENYL OR CYCLOALKYL) CARBAMOYL - 1,2,3, 4 - TETRAHYDROPYRIMIDIN- 2 - ONE DERIVATIVES AS ANTITUBERCULAR AGENTS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2011-12-08 WO claimed
CN-113683526-B Method for preparing p-chloro-o-nitroacetanilide by using packed bed reactor 山东京博农化科技股份有限公司 2023-06-30 CN disclosed
CN-214915972-U Reaction kettle for p-chloro-o-nitro acetoacetanilide 湖北丰杯生物科技有限公司 2021-11-30 CN disclosed
CN-102971301-B Antitubercular agents COUNCIL SCIENT IND RES 2015-07-22 CN disclosed
CN-102971301-A 6 - methyl - 4 - phenyl - 5 - ( phenyl or cycloalkyl) carbamoyl - 1,2,3, 4 - tetrahydropyrimidin- 2 - one derivatives as antitubercular agents COUNCIL SCIENT IND RES 2013-03-13 CN disclosed
WO-2011151701-A1 6 - METHYL - 4 - PHENYL - 5 - ( PHENYL OR CYCLOALKYL) CARBAMOYL - 1,2,3, 4 - TETRAHYDROPYRIMIDIN- 2 - ONE DERIVATIVES AS ANTITUBERCULAR AGENTS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2011-12-08 WO disclosed
EP-0295797-B1 Process for the selective reduction of 2-quinoxalinol-4-oxides to 2-quinoxalinols UNIROYAL CHEM CO INC (US) 1998-01-07 EP disclosed
CN-1017994-B Process for producing 2-quinoxalinol UNIROYAL CHEM CO INC (US) 1992-08-26 CN disclosed
CN-1017995-B Process for the selective reduction of 2-quinoxalinol-4-oxides UNIROYAL CHEM CO INC (US) 1992-08-26 CN disclosed
EP-0339411-B1 PROCESS FOR THE PREPARATION OF QUINOXALONES HOECHST AKTIENGESELLSCHAFT (DE) 1992-08-12 EP disclosed
EP-0339411-A1 Process for the preparation of quinoxalones HOECHST AKTIENGESELLSCHAFT (DE) 1989-11-02 EP disclosed
US-4814444-A SULFIDED PLATINUM, SULFIDED PALLADIUM, OR SULFIDED RHODIUM REDUCING CATALYSTS UNIROYAL CHEMICAL COMPANY, INC. (US) 1989-03-21 US disclosed
CN-1030915-A The process for selective reduction of 2-quinoxaline-4-oxide compound UNIROYAL CHEM CO INC (US) 1989-02-08 CN disclosed
CN-1030914-A The production method of 2-quinoxaline UNIROYAL CHEM CO INC (US) 1989-02-08 CN disclosed
EP-0295797-A2 Process for the selective reduction of 2-quinoxaline-4-oxides UNIROYAL CHEMICAL COMPANY, Inc. (US) 1988-12-21 EP disclosed
US-4305833-A Lubricating oils containing acetoacetanilides as antioxidants UOP INC. (US) 1981-12-15 US disclosed