SCHEMBL4647431

SCHEMBL4647431

CC(=O)c1cc(F)ccc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.56
ATM Q13315 1/20 0.56
MAPT P10636 4/20 0.51
USP10 Q14694 1/20 0.47
USP7 Q93009 1/20 0.47
USP47 Q96K76 1/20 0.47
TTR P02766 3/20 0.45
ALDH1A1 P00352 3/20 0.45
DTYMK P23919 1/20 0.44
KCNMA1 Q12791 1/20 0.43
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
TSHR P16473 3/20 0.41
CASP6 P55212 1/20 0.41
MEN1 O00255 2/20 0.40
LMNA P02545 2/20 0.40
KMT2A Q03164 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP3A4 P08684 2/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL16953719 0.87 ATM (0.58) TDP1ATMMAPTUSP10USP7
SCHEMBL621197 0.86 TDP1 (0.52) TDP1ATMMAPTUSP10USP7
SCHEMBL29380481 0.84 ATM (0.55) TDP1ATMMAPTUSP10USP7
SCHEMBL14577163 0.84 ATM (0.55) TDP1ATMMAPTUSP10USP7
SCHEMBL357813 0.84 DTYMK (0.62) TDP1ATMTTRALDH1A1DTYMK
SCHEMBL12789525 0.83 HSPB1 (0.51) TDP1ATMMAPTTTRALDH1A1
SCHEMBL16957125 0.83 TDP1 (0.53) TDP1ATMMAPTUSP10USP7
SCHEMBL2718272 0.82 ATM (0.49) TDP1ATMMAPTUSP10USP7
SCHEMBL590089 0.82 TDP1 (0.56) TDP1ATMMAPTTTRALDH1A1
SCHEMBL1667732 0.82 TDP1 (0.56) TDP1ATMMAPTTTRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110746307-B Preparation method of 1-nitro-2-ethyl-4-fluorobenzene 韶远科技(上海)有限公司 2021-07-06 CN claimed
WO-2021082752-A1 PREPARATION METHOD FOR 1-NITRO-2-ETHYL-4-FLUOROBENZENE 韶远科技(上海)有限公司 2021-05-06 WO claimed
CN-110746307-A Preparation method of 1-nitro-2-ethyl-4-fluorobenzene 韶远科技(上海)有限公司 2020-02-04 CN claimed
CN-117550981-B Preparation method of 2-amino-5-fluoro acetophenone 成都工业学院 2024-03-15 CN disclosed
CN-117550981-A Preparation method of 2-amino-5-fluoro acetophenone 成都工业学院 2024-02-13 CN disclosed
WO-2022216098-A1 NOVEL LRRK2 INHIBITOR 주식회사 스탠다임 2022-10-13 WO disclosed
CN-110746307-B Preparation method of 1-nitro-2-ethyl-4-fluorobenzene 韶远科技(上海)有限公司 2021-07-06 CN disclosed
CN-110746307-B Preparation method of 1-nitro-2-ethyl-4-fluorobenzene 韶远科技(上海)有限公司 2021-07-06 CN disclosed
WO-2021082752-A1 PREPARATION METHOD FOR 1-NITRO-2-ETHYL-4-FLUOROBENZENE 韶远科技(上海)有限公司 2021-05-06 WO disclosed
WO-2021082752-A1 PREPARATION METHOD FOR 1-NITRO-2-ETHYL-4-FLUOROBENZENE 韶远科技(上海)有限公司 2021-05-06 WO disclosed
CN-110746307-A Preparation method of 1-nitro-2-ethyl-4-fluorobenzene 韶远科技(上海)有限公司 2020-02-04 CN disclosed
WO-2005035520-A1 SUBSTITUTED ISOQUINOLINONES PORTOLA PHARMACEUTICALS, INC. (US) 2005-04-21 WO disclosed
EP-0442655-B1 Benzisoxazole derivatives ZENECA LTD (GB) 1996-01-17 EP disclosed
US-5176737-A BENZISOXAZOLE COMPOUNDS USEFUL AS HERBICIDES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-01-05 US disclosed
EP-0442655-A2 Benzisoxazole derivatives ZENECA LIMITED (GB) 1991-08-21 EP disclosed
US-4528025-A Herbicidally active quinoline or quinoxaline acetophenone oxime derivatives PPG INDUSTRIES, INC. (US) 1985-07-09 US disclosed
US-4456466-A Herbicidally active benzoxazolyl acetophenone oxime derivatives PPG INDUSTRIES, INC. (US) 1984-06-26 US disclosed
US-4440930-A Herbicidally active quinoline or quinoxaline acetophenone oxime derivatives PPG INDUSTRIES, INC. (US) 1984-04-03 US disclosed
US-4053470-A BACTERICIDES, ANTIBIOTICS PARKE, DAVIS & COMPANY (US) 1977-10-11 US disclosed
US-3954734-A PENICILLIN AND CEPHALOSPORIN TYPE PARKE, DAVIS & COMPANY 1976-05-04 US disclosed