SCHEMBL3559913

SCHEMBL3559913

O=[N+]([O-])c1cc(-c2ccccc2)ccc1O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.68
CRHR2 Q13324 1/20 0.68
ABCC1 P33527 3/20 0.58
ABCB1 P08183 2/20 0.58
MAPT P10636 5/20 0.57
KCNMA1 Q12791 1/20 0.57
ALDH1A1 P00352 3/20 0.56
MAPK1 P28482 2/20 0.56
HPGD P15428 2/20 0.56
TP53 P04637 1/20 0.56
TSHR P16473 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
GPR35 Q9HC97 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.55
ALOX15 P16050 2/20 0.55
HSD17B10 Q99714 2/20 0.55
ALOX5 P09917 1/20 0.53
ALDH5A1 P51649 1/20 0.51
ABAT P80404 1/20 0.51
CA12 O43570 1/20 0.51

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
SCHEMBL29878741 1.00 CRHBP (0.68) CRHBPCRHR2ABCC1ABCB1MAPT
SCHEMBL28537073 0.98 CRHBP (0.66) CRHBPCRHR2ABCC1ABCB1MAPT
SCHEMBL9318576 0.93 CRHBP (0.65) CRHBPCRHR2ABCC1ABCB1MAPT
Benzoic Acid SCHEMBL1897368 0.91 ABCC1 (0.57) CRHBPCRHR2ABCC1ABCB1MAPT
SCHEMBL4368126 0.90 MAPT (0.67) CRHBPCRHR2MAPTALDH1A1MAPK1
SCHEMBL29484215 0.90 MAPT (0.67) CRHBPCRHR2MAPTALDH1A1MAPK1
SCHEMBL9306308 0.86 MAPT (0.62) CRHBPCRHR2MAPTALDH1A1MAPK1
SCHEMBL29878908 0.85 CRHBP (0.68) CRHBPCRHR2ABCC1ABCB1MAPT
SCHEMBL5595131 0.85 CRHBP (0.68) CRHBPCRHR2ABCC1ABCB1MAPT
SCHEMBL4340852 0.84 ERN1 (0.61) CRHBPCRHR2ABCC1ABCB1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117820174-A Synthesis method of bifenazate 山东华阳农药化工集团有限公司 2024-04-05 CN claimed
EP-1274673-B1 METHOD FOR PRODUCING 4-HYDROXY-3-NITROBIPHENYL SALTIGO GMBH (DE) 2006-10-11 EP claimed
WO-2005014534-A1 ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-02-17 WO claimed
US-6610893-B2 Selectively nitrating 4-hydroxybiphenyl in the position adjacent to the phenolic hydroxyl group BAYER AKTIENGESELLSCHAFT (DE) 2003-08-26 US claimed
US-20030055294-A1 Method for producing 4-hydroxy-3-nitrobiphenyl LANXESS DEUTSCHLAND GMBH (DE) 2003-03-20 US claimed
EP-1274673-A1 METHOD FOR PRODUCING 4-HYDROXY-3-NITROBIPHENYL Bayer Aktiengesellschaft (DE) 2003-01-15 EP claimed
WO-2001077061-A1 METHOD FOR PRODUCING 4-HYDROXY-3-NITROBIPHENYL BAYER AKTIENGESELLSCHAFT (DE) 2001-10-18 WO claimed
CN-117623947-B Synthesis method of bifenazate intermediate 绍兴上虞新银邦生化有限公司 2026-05-12 CN disclosed
CN-118388379-A Organic total synthesis method of nimesulide derivative 大连理工大学 2024-07-26 CN disclosed
CN-117820174-A Synthesis method of bifenazate 山东华阳农药化工集团有限公司 2024-04-05 CN disclosed
CN-117623947-A Synthesis method of bifenazate intermediate 绍兴上虞新银邦生化有限公司 2024-03-01 CN disclosed
CN-117229154-A Preparation method of bifenazate intermediate 帕潘纳(北京)科技有限公司 2023-12-15 CN disclosed
CN-115124485-B Sulfoxide-containing benzoxazole derivative, and preparation method and application thereof 中国医学科学院药物研究所 2023-12-15 CN disclosed
US-5344980-A Process for the preparation of 1,3,5-tris(4'-hydroxyaryl)benzene HOECHST CELANESE CORP. (US) 1994-09-06 US disclosed
EP-0576603-A1 PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF PROSTATIC HYPERPLASIA, CONTAINING A 5 ALPHA-REDUCTASE INHIBITOR AND AN ANTIANDROGEN MERCK & CO. INC. (US) 1994-01-05 EP disclosed
EP-0526093-A1 New non-steroidal agents as 5-alpha reductase inhibitors MERCK & CO. INC. (US) 1993-02-03 EP disclosed
EP-0525885-A1 New sulphur containing nonsteroidal drugs as 5-alpha reductase inhibitors MERCK & CO. INC. (US) 1993-02-03 EP disclosed
WO-1992018132-A1 PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF BENIGN PROSTATIC HYPERPLASIA COMTAINING A 5 ALPHA-REDUCTASE INHIBITOR MERCK & CO., INC. (US) 1992-10-29 WO disclosed
WO-1992016213-A1 PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF PROSTATIC HYPERPLASIA, CONTAINING A 5 ALPHA-REDUCTASE INHIBITOR AND AN ANTIANDROGEN MERCK & CO., INC. (US) 1992-10-01 WO disclosed
WO-1992016233-A1 PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF PROSTATIC CANCER CONTAINING A 5 ALPHA REDUCTASE INHIBITOR AND AN ANTIANDROGEN MERCK & CO., INC. (US) 1992-10-01 WO disclosed