SCHEMBL438963

SCHEMBL438963

Nc1ncc([N+](=O)[O-])cn1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.64
LMNA P02545 2/20 0.64
ALDH1A1 P00352 6/20 0.46
IDO1 P14902 1/20 0.46
ADRA2A P08913 2/20 0.44
ADRA2B P18089 2/20 0.44
ADRA2C P18825 2/20 0.44
HPGD P15428 2/20 0.43
ALOX15 P16050 1/20 0.43
ROCK1 Q13464 2/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
PIK3CB P42338 1/20 0.41
ALOX12 P18054 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
SCHEMBL1648667 0.79 MAPT (0.49) MAPTLMNAALDH1A1HPGDROCK1
SCHEMBL27636025 0.79 MAPT (1.00) MAPTLMNAALDH1A1ROCK1MEN1
SCHEMBL28073579 0.75 ADRA2A (0.44) MAPTLMNAALDH1A1ADRA2AADRA2B
SCHEMBL27879821 0.75 LMNA (0.43) MAPTLMNAALDH1A1IDO1ADRA2A
SCHEMBL594326 0.75 MEN1 (0.49) MAPTLMNAALDH1A1ADRA2AADRA2B
SCHEMBL6781137 0.75 TSHR (0.46) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL11747969 0.75 CYP19A1 (0.44) MAPTLMNAALDH1A1IDO1ADRA2A
SCHEMBL4056425 0.75 MAPT (0.43) MAPTLMNAALDH1A1IDO1ADRA2A
SCHEMBL10113803 0.75 MAPT (0.43) MAPTLMNAALDH1A1IDO1ADRA2A
SCHEMBL61992 0.75 ALDH1A1 (0.44) MAPTLMNAALDH1A1ADRA2AADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9379388-B2 Catalyst for oxygen reduction reaction in fuel cells BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2016-06-28 US claimed
US-9255182-B2 Data storage medium and method for high density data storage INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2016-02-09 US claimed
US-20130280419-A1 Novel catalyst for oxygen reduction reaction in fuel cells BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY 2013-10-24 US claimed
WO-2013090873-A1 A COMPOSITION AND METHOD FOR REDUCING CYANURIC ACID IN RECREATIONAL WATER HAVILAND PRODUCTS COMPANY (US) 2013-06-20 WO claimed
US-20110287174-A1 Novel catalyst for oxygen reduction reaction in fuel cells BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2011-11-24 US claimed
US-20100048380-A1 Novel catalyst for oxygen reduction reaction in fuel cells BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2010-02-25 US claimed
US-7547713-B2 O-pyridinequinone derivatives, the composition containing the derivatives, the process for preparation of the derivatives and the use of the derivatives GU LIANQUAN 2009-06-16 US claimed
US-20080175135-A1 DATA STORAGE MEDIUM AND METHOD FOR HIGH DENSITY DATA STORAGE DUERIG URS T 2008-07-24 US claimed
US-20080076903-A1 DATA STORAGE MEDIUM AND METHOD FOR HIGH DENSITY DATA STORAGE INTERNATIONAL BUSINESS MACHINES CORPORATION 2008-03-27 US claimed
CN-1284773-C Ortho-pyridinequinone derivative, composite containing said derivative, its preparation method and application BAIRUI GLOBAL CO LTD (VG) 2006-11-15 CN claimed
EP-0743574-B1 Migration imaging members XEROX CORP (US) 2000-12-27 EP claimed
EP-0743573-B1 Method for obtaining image contrast migration imaging members XEROX CORP (US) 2000-09-06 EP claimed
EP-0673783-B1 Recording sheets containing purine, pyrimidine, benzimidazole, imidazolidine, urazole, pyrazole, triazole, benzotriazole, tetrazole, and pyrazine compounds XEROX CORP (US) 2000-07-05 EP claimed
WO-1999063333-A1 SURFACE REGENERATION OF BIOSENSORS BIACORE AB (SE) 1999-12-09 WO claimed
US-5659348-A APPLYING TO A SUBSTRATE XEROX CORPORATION (US) 1997-08-19 US claimed
EP-0743573-A2 Method for obtaining image contrast migration imaging members XEROX CORPORATION (US) 1996-11-20 EP claimed
EP-0743574-A2 Migration imaging members XEROX CORPORATION (US) 1996-11-20 EP claimed
US-5563014-A SOFTENABLE LAYER CONTAINIG PHOTOSENSITIVE MARKING MATERIAL; TRANSPARENTIZING AGENT XEROX CORPORATION (US) 1996-10-08 US claimed
US-5514505-A SELECTIVE TRANSPARENTIZATION OF PHOTOSENSITIVE MIGRATION MARKING PARTICLES EMBEDDED NEAR THE SURFACE OF A SOFTENABLE LAYER SUPPORTED BY AN ELECTROCONDUCTIVE SUBSTRATE XEROX CORPORATION (US) 1996-05-07 US claimed
EP-0673783-A2 Recording sheets containing purine, pyrimidine, benzimidazole, imidazolidine, urazole, pyrazole, triazole, benzotriazole, tetrazole, and pyrazine compounds XEROX CORPORATION (US) 1995-09-27 EP claimed