SCHEMBL1985402

SCHEMBL1985402

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.62
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
L3MBTL1 Q9Y468 3/20 0.52
MAPT P10636 3/20 0.52
MAPK1 P28482 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
CASP7 P55210 1/20 0.51
KCNMA1 Q12791 1/20 0.50
POLB P06746 2/20 0.49
GAA P10253 2/20 0.49
HCAR3 P49019 2/20 0.49
RAB9A P51151 2/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
NPC1 O15118 1/20 0.47
PDK1 Q15118 1/20 0.47
PDK2 Q15119 1/20 0.47

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
SCHEMBL7419391 1.00 ALDH1A1 (0.62) ALDH1A1MEN1KMT2AL3MBTL1MAPT
SCHEMBL24202473 1.00 ALDH1A1 (0.62) ALDH1A1MEN1KMT2AL3MBTL1MAPT
SCHEMBL31722182 1.00 ALDH1A1 (0.62) ALDH1A1MEN1KMT2AL3MBTL1MAPT
Hydrochloric Acid SCHEMBL10520152 0.98 ALDH1A1 (0.60) ALDH1A1MEN1KMT2AL3MBTL1MAPT
SCHEMBL1653800 0.86 ALDH1A1 (0.54) ALDH1A1MEN1KMT2AL3MBTL1MAPT
SCHEMBL10974753 0.86 ALDH1A1 (0.54) ALDH1A1MEN1KMT2AL3MBTL1MAPT
SCHEMBL24202568 0.84 ALDH1A1 (0.57) ALDH1A1MEN1KMT2AL3MBTL1MAPT
SCHEMBL11197769 0.84 ALDH1A1 (0.62) ALDH1A1MEN1KMT2AL3MBTL1MAPT
SCHEMBL24202566 0.84 ALDH1A1 (0.57) ALDH1A1MEN1KMT2AL3MBTL1MAPT
SCHEMBL28465359 0.84 ALDH1A1 (0.54) ALDH1A1MEN1KMT2AL3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100297680-A1 METHODS FOR ASSESSING THE RISK FOR DEVELOPMENT OF CARDIOVASCULAR DISEASE UNIVERSITY OF WASHINGTON (US) 2010-11-25 US claimed
US-20080261250-A1 Methods for Assessing the Risk for Development of Cardiovascular Disease UNIVERSITY OF WASHINGTON (US) 2008-10-23 US claimed
EP-1787116-A4 METHODS FOR ASSESSING THE RISK FOR DEVELOPMENT OF CARDIOVASCULAR DISEASE UNIV WASHINGTON (US) 2008-05-28 EP claimed
EP-1787116-A1 METHODS FOR ASSESSING THE RISK FOR DEVELOPMENT OF CARDIOVASCULAR DISEASE University of Washington (US) 2007-05-23 EP claimed
WO-2006014628-A1 METHODS FOR ASSESSING THE RISK FOR DEVELOPMENT OF CARDIOVASCULAR DISEASE UNIVERSITY OF WASHINGTON (US) 2006-02-09 WO claimed
CN-113774084-B Overexpression of N-glycosylation pathway-modulating genes to modulate glycosylation of recombinant proteins 美国安进公司 2024-04-16 CN disclosed
CN-110662558-B Treatment or amelioration of metabolic disorders using GLP-1 receptor agonists coupled to Gastric Inhibitory Peptide Receptor (GIPR) antagonists 美国安进公司 2024-04-09 CN disclosed
US-20240101625-A1 EPHA2 T-CELL EPITOPE AGONISTS AND USES THEREFORE UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2024-03-28 US disclosed
US-11787846-B2 EphA2 T-cell epitope agonists and uses therefore University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2023-10-17 US disclosed
EP-4199968-A1 ANTIBODY-TLR AGONIST CONJUGATES, METHODS AND USES THEREOF Ambrx, Inc. (US) 2023-06-28 EP disclosed
CN-116113634-A Modulus modifier and film thereof 齐默尔根公司 2023-05-12 CN disclosed
US-20220145339-A1 METHOD FOR PREPARATION OF PRIMARY AMINE COMPOUNDS MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2022-05-12 US disclosed
US-5500414-A TREATMENT OF PERIODONTAL DISESASE, INHIBITION OF ZINC METALLOPROTEASES COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 1996-03-19 US disclosed
WO-1995015335-A2 PRETARGETING METHODS AND COMPOUNDS NEORX CORPORATION (US) 1995-06-08 WO disclosed
US-5389612-A Treating infections caused by clostridium histolyticum and pseudomonas aeruginosa; enzyme inhibitors COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 1995-02-14 US disclosed
EP-0315959-B1 Quinoxaline compounds and their preparation and use NOVO NORDISK AS (DK) 1994-03-02 EP disclosed
EP-0565450-A1 Use of peptide derivatives for the manufacture of medicaments inhibiting endopeptidases 24.15 and 24.16 COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 1993-10-13 EP disclosed
US-5026704-A Neuroleptic agent, quisqualate-antagonist NOVO NORDISK A/S (DK) 1991-06-25 US disclosed
US-4948794-A NEUROLEPTIC AGENTS A/S FERROSAN (DK) 1990-08-14 US disclosed
EP-0315959-A2 Quinoxaline compounds and their preparation and use NOVO NORDISK A/S (DK) 1989-05-17 EP disclosed