SCHEMBL223451

SCHEMBL223451

CNC(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
MAPK1 P28482 1/20 0.62
CES1 P23141 1/20 0.61
MEN1 O00255 3/20 0.61
POLB P06746 3/20 0.61
KMT2A Q03164 3/20 0.61
CA1 P00915 2/20 0.59
CA2 P00918 2/20 0.59
TDP1 Q9NUW8 1/20 0.59
ALDH1A1 P00352 2/20 0.57
TSHR P16473 1/20 0.57
CRHBP P24387 1/20 0.56
CRHR2 Q13324 1/20 0.56
HDAC2 Q92769 2/20 0.55
HDAC3 O15379 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
RAB9A P51151 2/20 0.55

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
SCHEMBL18837900 0.94 MAPT (0.58) MAPTL3MBTL1MAPK1CES1MEN1
SCHEMBL3047151 0.90 MAPT (0.57) MAPTL3MBTL1MAPK1CES1MEN1
SCHEMBL27815181 0.88 MAPT (0.67) MAPTL3MBTL1MAPK1CES1MEN1
Diphenylether SCHEMBL6868881 0.86 FFAR1 (0.62) MAPTL3MBTL1MAPK1CES1MEN1
SCHEMBL11060793 0.85 KDM4E (0.68) MAPTL3MBTL1MAPK1CES1MEN1
SCHEMBL9669280 0.84 MEN1 (0.66) MAPTL3MBTL1MAPK1CES1MEN1
SCHEMBL28723007 0.83 MEN1 (0.82) MAPTL3MBTL1MAPK1CES1MEN1
SCHEMBL11060783 0.83 MEN1 (0.73) MAPTL3MBTL1MAPK1CES1MEN1
SCHEMBL6996891 0.82 TDP1 (0.62) MAPTL3MBTL1MAPK1CES1MEN1
SCHEMBL11848975 0.82 MAPT (0.60) MAPTL3MBTL1MAPK1CES1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113372334-A 2- (4-methionyl) anilino-4-amino-5-trifluoromethylpyrimidine derivatives and application thereof 贵州医科大学 2021-09-10 CN claimed
CN-112592318-A 2- (4-methionyl) anilino-4-aminopyrimidine derivatives and application thereof 贵州医科大学 2021-04-02 CN claimed
CN-104710367-A Method for synthesizing enzalutamide UNIV CHINA PHARMA 2015-06-17 CN claimed
CN-103304439-A Preparation method of 4-amino-2-fluoro-methyl benzamide UNIV CHANGZHOU 2013-09-18 CN claimed
CN-113372334-B 2- (4-methionyl) anilino-4-amino-5-trifluoromethylpyrimidine derivatives and application thereof 贵州医科大学 2022-05-03 CN disclosed
CN-112592318-B 2- (4-methionyl) anilino-4-aminopyrimidine derivatives and application thereof 贵州医科大学 2022-05-03 CN disclosed
CN-112299938-B Method for preparing amine compound by reducing amide compound 中国科学院兰州化学物理研究所 2021-12-28 CN disclosed
CN-110903286-B 4, 6-disubstituted pyridine [3,2-d ] pyrimidine compound and preparation and application thereof 沈阳药科大学 2021-09-24 CN disclosed
CN-113372334-A 2- (4-methionyl) anilino-4-amino-5-trifluoromethylpyrimidine derivatives and application thereof 贵州医科大学 2021-09-10 CN disclosed
CN-112592318-A 2- (4-methionyl) anilino-4-aminopyrimidine derivatives and application thereof 贵州医科大学 2021-04-02 CN disclosed
CN-110950781-A Novel diamine, polyamic acid, and polyimide 日产化学工业株式会社 2020-04-03 CN disclosed
CN-110903286-A 4, 6-disubstituted pyridine [3,2-d ] pyrimidine compound and preparation and application thereof 沈阳药科大学 2020-03-24 CN disclosed
US-4131738-A 6-Hydroxy-PGE1 compounds THE UPJOHN COMPANY (US) 1978-12-26 US disclosed
US-4128713-A 6,7-Didehydro-PGI1 compounds THE UPJOHN COMPANY (US) 1978-12-05 US disclosed
US-4126744-A PROSTACYCLIN, MUSCLE STIMULANTS, PLATELET AGGREGATION INHIBITORS THE UPJOHN COMPANY (US) 1978-11-21 US disclosed
US-4112224-A PROSTAGLANDIN THE UPJOHN COMPANY (US) 1978-09-05 US disclosed
US-4109082-A PROSTACYCLIN ANALOGS; SMOOTH MUSCLE STIMULATORS THE UPJOHN COMPANY (US) 1978-08-22 US disclosed
US-4100192-A Inter-phenylene-PG amides THE UPJOHN COMPANY (US) 1978-07-11 US disclosed
US-4097489-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1978-06-27 US disclosed
US-3959269-A TRANQUILIZERS, SEDATIVES SANDOZ, INC. (US) 1976-05-25 US disclosed