SCHEMBL916164

SCHEMBL916164

CC(=O)Oc1cccc([N+](=O)[O-])c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.60
ALDH1A1 P00352 1/20 0.57
LMNA P02545 2/20 0.56
CYP3A4 P08684 1/20 0.56
ACHE P22303 2/20 0.56
TSHR P16473 2/20 0.53
HGFAC Q04756 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
ALOX5 P09917 1/20 0.52
CES2 O00748 1/20 0.51
CES1 P23141 1/20 0.51
CHRNB2 P17787 1/20 0.51
CHRNA4 P43681 1/20 0.51
MAOB P27338 1/20 0.51
HSP90AA1 P07900 1/20 0.50
CCR6 P51684 1/20 0.50
GLO1 Q04760 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
TP53 P04637 1/20 0.50

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
SCHEMBL29787109 1.00 F2 (0.60) F2ALDH1A1LMNACYP3A4ACHE
SCHEMBL28472004 0.98 F2 (0.58) F2ALDH1A1LMNACYP3A4ACHE
SCHEMBL14984182 0.88 ALDH1A1 (0.60) F2ALDH1A1LMNATSHRALOX5
SCHEMBL11195246 0.88 F2 (0.61) F2ALDH1A1LMNATSHRHGFAC
SCHEMBL7929197 0.86 F2 (0.63) F2ALDH1A1LMNATSHRHGFAC
SCHEMBL2955782 0.86 F2 (0.63) F2ALDH1A1LMNATSHRHGFAC
SCHEMBL12919991 0.85 F2 (0.56) F2ALDH1A1LMNAACHETSHR
SCHEMBL12920001 0.85 F2 (0.55) F2ALDH1A1LMNAACHETSHR
SCHEMBL4894369 0.84 F2 (0.55) F2ALDH1A1LMNAACHETSHR
SCHEMBL4779903 0.83 ALDH1A1 (0.54) F2ALDH1A1LMNAACHETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024017201-A1 CBL-B INHIBITORS AND METHODS OF USES THEREOF INSILICO MEDICINE IP LIMITED (CN) 2024-01-25 WO disclosed
WO-2023226965-A1 ROCK INHIBITORS AND USES THEREOF DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD. (CN) 2023-11-30 WO disclosed
CN-113717133-B 3-amido-N-aryl benzamide compound and application thereof 浙江大学 2023-11-17 CN disclosed
US-10597689-B2 Process for enzymatic hydrolysis of lignocellulosic material and fermentation of sugars DSM IP ASSETS B.V. (NL) 2020-03-24 US disclosed
US-10435718-B2 Process for enzymatic hydrolysis of lignocellulosic material and fermentation of sugars DSM IP ASSETS B.V. (NL) 2019-10-08 US disclosed
EP-2310357-B1 POTASSIUM ION CHANNEL MODULATORS & USES THEREOF RAMOT AT TEL AVIV UNIV LIMITED (IL) 2019-09-11 EP disclosed
US-10337040-B2 Process for enzymatic hydrolysis of lignocellulosic material and fermentation of sugars DSM IP ASSETS B.V. (NL) 2019-07-02 US disclosed
US-20170247722-A1 PROCESS FOR ENZYMATIC HYDROLYSIS OF LIGNOCELLULOSIC MATERIAL AND FERMENTATION OF SUGARS DSM IP ASSETS B.V. (NL) 2017-08-31 US disclosed
US-9675567-B2 Potassium ion channel modulators and uses thereof RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2017-06-13 US disclosed
US-20170145455-A1 PROCESS FOR ENZYMATIC HYDROLYSIS OF LIGNOCELLULOSIC MATERIAL AND FERMENTATION OF SUGARS DSM IP ASSETS B.V. (NL) 2017-05-25 US disclosed
US-5328828-A Immunoassay for amphetamines with antibodies for conjugation and enzymes SYNTEX (U.S.A.) INC. (US) 1994-07-12 US disclosed
US-5324750-A Coagulation of powdered catalyst; separation AUSTRALIA COMMERCIAL RESEARCH & DEVELOPMENT LIMITED (AU) 1994-06-28 US disclosed
EP-0518930-A4 CYCLODEXTRIN COMPOSITIONS AND METHODS FOR PHARMACEUTICAL AND INDUSTRIAL APPLICATIONS 1993-09-15 EP disclosed
US-5234944-A Analgesic for mammals ROUSSEL UCLAF (FR) 1993-08-10 US disclosed
EP-0518930-A1 CYCLODEXTRIN COMPOSITIONS AND METHODS FOR PHARMACEUTICAL AND INDUSTRIAL APPLICATIONS AUSTRALIAN COMMERCIAL RESEARCH & DEVELOPMENT LIMITED (AU) 1992-12-23 EP disclosed
US-5135863-A Immunoassay; drug abuse SYNTEX (U.S.A.) INC. (US) 1992-08-04 US disclosed
WO-1991013100-A1 CYCLODEXTRIN COMPOSITIONS AND METHODS FOR PHARMACEUTICAL AND INDUSTRIAL APPLICATIONS AUSTRALIAN COMMERCIAL RESEARCH & DEVELOPMENT LIMITED (AU) 1991-09-05 WO disclosed
US-5043347-A Indanes and analgesic compositions and methods thereof ROUSSEL UCLAF (FR) 1991-08-27 US disclosed
EP-0375422-A2 Composition and methods for determining the presence of amphetamines in a sample suspected of containing amphetamine and/or methamphetamine BEHRINGWERKE Aktiengesellschaft (DE) 1990-06-27 EP disclosed
US-4640922-A VASODILATORS SUNTORY LIMITED (JP) 1987-02-03 US disclosed