SCHEMBL297769

SCHEMBL297769

CN(C)c1ccc([N+](=O)[O-])c(C(=O)O)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.60
DTYMK P23919 1/20 0.57
NPSR1 Q6W5P4 2/20 0.54
PTGS2 P35354 2/20 0.52
ALDH1A1 P00352 1/20 0.50
HCAR3 P49019 1/20 0.50
KDM4E B2RXH2 1/20 0.48
GLA P06280 1/20 0.48
TSHR P16473 3/20 0.46
CASP6 P55212 1/20 0.46
LMNA P02545 1/20 0.45
KMT2A Q03164 2/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SLC16A3 O15427 1/20 0.43
BACE1 P56817 1/20 0.43
ACHE P22303 2/20 0.43
GRK6 P43250 1/20 0.42
BCHE P06276 1/20 0.42
MEN1 O00255 1/20 0.41

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
SCHEMBL31338514 1.00 MAPT (0.60) MAPTDTYMKNPSR1PTGS2ALDH1A1
SCHEMBL1371283 0.87 MAPT (0.57) MAPTDTYMKNPSR1PTGS2ALDH1A1
SCHEMBL341056 0.87 MAPT (0.60) MAPTDTYMKNPSR1PTGS2ALDH1A1
Hydrochloric Acid SCHEMBL1890620 0.85 MAPT (0.56) MAPTDTYMKNPSR1PTGS2ALDH1A1
SCHEMBL27248589 0.85 MAPT (0.58) MAPTDTYMKNPSR1PTGS2ALDH1A1
SCHEMBL7497984 0.84 DTYMK (0.51) MAPTDTYMKNPSR1PTGS2ALDH1A1
SCHEMBL25410942 0.83 RAB9A (0.53) MAPTNPSR1PTGS2ALDH1A1HCAR3
SCHEMBL31366512 0.83 RAB9A (0.53) MAPTNPSR1PTGS2ALDH1A1HCAR3
SCHEMBL2061821 0.83 MAPT (0.55) MAPTNPSR1PTGS2ALDH1A1HCAR3
SCHEMBL6081366 0.83 HCAR3 (0.54) MAPTDTYMKALDH1A1HCAR3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2283151-B1 DIHYDROOROTATE DEHYDROGENASE AS ANTIFUNGAL DRUG TARGET F2G LTD (GB) 2017-03-08 EP disclosed
CN-103784458-B Phenylalamine derivatives AJINOMOTO K. K. (JP) 2015-10-14 CN disclosed
EP-1595870-B1 PROCESS FOR PRODUCING PHENYLALANINE DERIVATIVE HAVING QUINAZOLINEDIONE SKELETON AND INTERMEDIATE FOR THE SAME AJINOMOTO KK (JP) 2015-09-23 EP disclosed
EP-1700850-B1 Phenylalanine derivative AJINOMOTO KK (JP) 2015-07-15 EP disclosed
US-9034887-B2 Dihydroorotate dehydrogenase as antifungal drug target and quinazolinone-based inhibitors thereof F2G LIMITED (GB) 2015-05-19 US disclosed
CN-1917881-B Novel phenylalanine derivatives AJINOMOTO KK 2014-11-26 CN disclosed
EP-2803667-A1 Phenylalanine derivatives AJINOMOTO CO., INC. (JP) 2014-11-19 EP disclosed
CN-103784458-A Novel phenylalanine derivatives AJINOMOTO KK 2014-05-14 CN disclosed
CN-101589028-B Process for production of phenylalanine derivatives having quinazolinedione skeletons and intermediates for the production AJINOMOTO KK 2014-02-19 CN disclosed
US-8546610-B2 Method for preparing phenylalanine derivatives having quinazoline-dione skeleton and intermediates for use in the preparation of the derivatives AJINOMOTO CO., INC. (JP) 2013-10-01 US disclosed
WO-2005009969-A1 AMINOQUINOLINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS SANOFI-AVENTIS (FR) 2005-02-03 WO disclosed
US-5872115-A COMPOUNDS FOR TREATMENT OF HYPERCHOLESTEROLEMIA, ISCHEMIC HEART DISEASE, CEREBROVASCULAR DISEASE OR ATHEROSCLEROSIS GRELAN PHARMACEUTICAL CO. LTD. (JP) 1999-02-16 US disclosed
WO-1997020822-A1 QUINAZOLIN-2,4-DIAZIRINES AS NPY RECEPTOR ANTAGONIST NOVARTIS AG (CH) 1997-06-12 WO disclosed
EP-0742208-A1 2-Ureido-benzamide derivatives GRELAN PHARMACEUTICAL CO., LTD. (JP) 1996-11-13 EP disclosed
EP-0280187-B1 HAIR DYEING COMPOSITIONS WITH DIRECT-DYEING NITRO-DIPHENYL AMINE DERIVATIVES Henkel Kommanditgesellschaft auf Aktien (DE) 1992-01-02 EP disclosed
US-4859206-A Hair dye preparations containing nitrodiphenylamine derivative HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1989-08-22 US disclosed
EP-0280187-A1 Hair dyeing compositions with direct-dyeing nitro-diphenyl amine derivatives Henkel Kommanditgesellschaft auf Aktien (DE) 1988-08-31 EP disclosed
US-4455311-A Imidazoquinazoline derivatives which inhibit the aggregation of blood platelets, inhibit gastric secretion or have activity on the circulatory system HOFFMANN-LA ROCHE INC. (US) 1984-06-19 US disclosed
EP-0073060-A1 Imidazoquinazoline derivatives, their preparation and medicaments containing them F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1983-03-02 EP disclosed
US-4011323-A ANTIOBESITY AND ANTIDIABETIC SANDOZ, INC. (US) 1977-03-08 US disclosed