Nitrobenzene

Nitrobenzene

SCHEMBL3888859

O=[N+]([O-])c1ccccc1.[LiH]

nearest known ligand 0.94

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.94
▸ LMNA P02545 2/20 0.94
▸ TSHR P16473 2/20 0.62
▸ L3MBTL1 Q9Y468 2/20 0.60
▸ MEN1 O00255 1/20 0.60
▸ CRHBP P24387 1/20 0.60
▸ KMT2A Q03164 1/20 0.60
▸ ATM Q13315 1/20 0.60
▸ CRHR2 Q13324 1/20 0.60
▸ TLR9 Q9NR96 1/20 0.60
▸ HPGD P15428 1/20 0.60
▸ ALOX12 P18054 1/20 0.60
▸ CES2 O00748 1/20 0.58
▸ CES1 P23141 1/20 0.58
▸ NFE2L2 Q16236 1/20 0.54
▸ ACHE P22303 2/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ POLB P06746 1/20 0.52
▸ MAPK1 P28482 1/20 0.52

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
Nitrobenzene SCHEMBL1330714 0.97 — —
Nitrobenzene SCHEMBL15525745 0.97 ALDH1A1 (1.00) ALDH1A1LMNATSHRL3MBTL1MEN1
Nitrobenzene SCHEMBL2255264 0.97 ALDH1A1 (1.00) ALDH1A1LMNATSHRL3MBTL1MEN1
Nitrobenzene SCHEMBL20411 0.97 — —
Nitrobenzene SCHEMBL9669095 0.97 — —
Nitrobenzene SCHEMBL1330825 0.97 — —
Nitrobenzene SCHEMBL2358164 0.97 ALDH1A1 (1.00) ALDH1A1LMNATSHRL3MBTL1MEN1
Nitrobenzene SCHEMBL25293390 0.94 ALDH1A1 (0.94) ALDH1A1LMNATSHRL3MBTL1MEN1
Nitrobenzene SCHEMBL2744753 0.94 ALDH1A1 (0.94) ALDH1A1LMNATSHRL3MBTL1MEN1
Nitrobenzene SCHEMBL3888506 0.94 ALDH1A1 (0.94) ALDH1A1LMNATSHRL3MBTL1MEN1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111905568-B Method for separating lithium isotopes 山西大学 2024-03-12 — — CN disclosed
CN-111905568-A Method for separating lithium isotopes 山西大学 2020-11-10 — — CN disclosed
WO-2018162610-A1 NOVEL PHOSPHORYLATION REAGENTS AND USES THEREOF ETH ZURICH (CH) 2018-09-13 — — WO disclosed
US-7572303-B2 A symmetrical dialkyl carbonate, a metal, borong, silicon, or group 7 compound, a hydrogen or hydrocarbon-based fuel, an oxidizer, and a metallic cocatalyst; minimized hydrolysis; improved combustion and storage stability OCTANE INTERNATIONAL, LTD. (US) 2009-08-11 — — US disclosed
EP-0954558-B1 FUEL COMPOSITIONS EXHIBITING IMPROVED FUEL STABILITY ORR WILLIAM C (US) 2006-06-14 — — EP disclosed
WO-2005087901-A2 FUEL ADDITIVE COMPOSITION HAVING ANTIKNOCK PROPERTIES INNOSPEC LIMITED (GB) 2005-09-22 — — WO disclosed
US-20050044778-A1 Fuel compositions employing catalyst combustion structure OCTANE INTERNATIONAL, LTD. 2005-03-03 — — US disclosed
US-20040237384-A1 Fuel compositions exhibiting improved fuel stability OCTANE INTERNATIONAL, LTD. 2004-12-02 — — US disclosed
US-6652608-B1 Fuel compositions exhibiting improved fuel stability OCTANE INTERNATIONAL, LTD. 2003-11-25 — — US disclosed
EP-1051461-A2 FUEL COMPOSITIONS EMPLOYING CATALYST COMBUSTION STRUCTURE ORR, William C. (US) 2000-11-15 — — EP disclosed
WO-1999066009-A2 FUEL COMPOSITIONS EMPLOYING CATALYST COMBUSTION STRUCTURE ORR WILLIAM C (US) 1999-12-23 — — WO disclosed
EP-0954558-A1 FUEL COMPOSITIONS EXHIBITING IMPROVED FUEL STABILITY ORR, William C. (US) 1999-11-10 — — EP disclosed
WO-1998026028-A1 FUEL COMPOSITIONS EXHIBITING IMPROVED FUEL STABILITY ORR WILLIAM C (US) 1998-06-18 — — WO disclosed
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