SCHEMBL5983434

SCHEMBL5983434

O=[N+]([O-])C1(O)C=CC(c2ccccc2)=CC1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
KCNA4 P22459 1/20 0.32
KCNA1 Q09470 1/20 0.32
KCNAB1 Q14722 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
POLB P06746 1/20 0.31
MAPK1 P28482 1/20 0.31
FBP1 P09467 3/20 0.30

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
SCHEMBL28832722 0.92
SCHEMBL8655837 0.81 ALDH1A1 (0.35) CRHBPCRHR2KCNA4KCNA1KCNAB1
Bicarbonate SCHEMBL21906199 0.80 MAPK1 (0.36) CRHBPCRHR2KCNA4KCNA1KCNAB1
SCHEMBL28022362 0.79 KCNA4 (0.33) CRHBPCRHR2KCNA4KCNA1KCNAB1
SCHEMBL3389680 0.79 POLB (0.33) CRHBPCRHR2KCNA4KCNA1KCNAB1
SCHEMBL2422559 0.78 ABCC1 (0.32) KCNA4KCNA1KCNAB1ALDH1A1TDP1
SCHEMBL27474534 0.78 KCNA4 (0.32) KCNA4KCNA1KCNAB1ALDH1A1TDP1
SCHEMBL6155292 0.78 KCNA4 (0.38) KCNA4KCNA1KCNAB1ALDH1A1TDP1
SCHEMBL27502569 0.78 KCNA4 (0.32) KCNA4KCNA1KCNAB1ALDH1A1TDP1
SCHEMBL27523598 0.78 KCNA4 (0.35) KCNA4KCNA1KCNAB1ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0670855-A1 NITRO OR NITROSO GROUP TERMINATED MESOGENIC EPOXY RESIN ADDUCTS THE DOW CHEMICAL COMPANY (US) 1995-09-13 EP claimed
WO-1994012555-A1 NITRO OR NITROSO GROUP TERMINATED MESOGENIC EPOXY RESIN ADDUCTS THE DOW CHEMICAL COMPANY (US) 1994-06-09 WO claimed
CN-115490853-B High-performance polyimide flexible copper-clad plate and preparation method thereof 江西有泽新材料科技有限公司 2024-01-30 CN disclosed
CN-112210390-B Liquid crystal aligning agent, liquid crystal alignment film, method for producing liquid crystal alignment film, liquid crystal display element, polymer, and compound JSR株式会社 2023-08-08 CN disclosed
CN-116529252-A Prodrugs for sustained release of therapeutic agents and uses thereof 重庆两江药物研发中心有限公司 2023-08-01 CN disclosed
CN-115490853-A High-performance polyimide flexible copper clad laminate and preparation method thereof 江西有泽新材料科技有限公司 2022-12-20 CN disclosed
CN-109503686-B Novel nucleoside phosphoramidate compounds and uses thereof 南京圣和药业股份有限公司 2022-03-11 CN disclosed
CN-108546277-B Novel nucleoside phosphoramidate compounds and uses thereof 南京圣和药业股份有限公司 2021-05-07 CN disclosed
CN-108314697-B Novel nucleoside phosphoramidate compounds and uses thereof 南京圣和药业股份有限公司 2021-05-07 CN disclosed
CN-112210390-A Liquid crystal aligning agent, liquid crystal alignment film, method for producing liquid crystal alignment film, liquid crystal display element, polymer, and compound JSR株式会社 2021-01-12 CN disclosed
CN-107111191-B Liquid crystal aligning agent, liquid crystal alignment film, method for producing liquid crystal alignment film, liquid crystal display element, polymer, and compound JSR株式会社 2020-11-06 CN disclosed
CN-1882527-A Biphenyloxy-acids WYETH CORP (US) 2006-12-20 CN disclosed
EP-1667959-A1 BIPHENYLOXY-ACIDS Wyeth (US) 2006-06-14 EP disclosed
WO-2005030702-A1 BIPHENYLOXY-ACIDS WYETH (US) 2005-04-07 WO disclosed
CN-1147562-C Liquid-crystalline polyethers 德吉玛泰克有限公司 2004-04-28 CN disclosed
CN-1391561-A Quinazoline compounds and pharmaceutical compositions containing them ASTRAZENECA AB (SE) 2003-01-15 CN disclosed
EP-0776354-B1 LIQUID-CRYSTALLINE POLYETHERS AKZO NOBEL NV (NL) 2000-01-12 EP disclosed
CN-1157004-A Liquid-crystalline polyethers AKZO NOBEL NV (NL) 1997-08-13 CN disclosed
EP-0776354-A1 LIQUID-CRYSTALLINE POLYETHERS Akzo Nobel N.V. (NL) 1997-06-04 EP disclosed
WO-1996006145-A1 LIQUID-CRYSTALLINE POLYETHERS AKZO NOBEL N.V. (NL) 1996-02-29 WO disclosed