SCHEMBL68675

SCHEMBL68675

O=[N+]([O-])c1ccc(O)c([N+](=O)[O-])c1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 5/20 0.59
HPGD P15428 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
TP53 P04637 2/20 0.52
TSHR P16473 2/20 0.52
HIF1A Q16665 2/20 0.52
CTSB P07858 2/20 0.52
CYP3A4 P08684 1/20 0.52
MAPK1 P28482 3/20 0.48
ALDH1A1 P00352 3/20 0.48
ALOX15 P16050 2/20 0.47
HSD17B10 Q99714 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAPT P10636 3/20 0.44
CASP6 P55212 2/20 0.44
POLB P06746 1/20 0.44
APEX1 P27695 1/20 0.44
ALDH5A1 P51649 1/20 0.44
ABAT P80404 1/20 0.44
ERN1 O75460 1/20 0.44

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
SCHEMBL29533001 1.00 GPR35 (0.59) GPR35HPGDSMN1; SMN2TP53TSHR
SCHEMBL12491862 0.98 GPR35 (0.57) GPR35HPGDSMN1; SMN2TP53TSHR
SCHEMBL27469332 0.98 GPR35 (0.57) GPR35HPGDSMN1; SMN2TP53TSHR
SCHEMBL12491863 0.98 GPR35 (0.57) GPR35HPGDSMN1; SMN2TP53TSHR
SCHEMBL4958698 0.86 GPR35 (0.60) GPR35HPGDSMN1; SMN2TP53TSHR
SCHEMBL16974400 0.86 GPR35 (0.60) GPR35HPGDSMN1; SMN2TP53TSHR
Benzoic Acid SCHEMBL27723585 0.85 GPR35 (0.49) GPR35TP53TSHRCTSBMAPK1
SCHEMBL145978 0.84 GPR35 (0.67) GPR35HPGDSMN1; SMN2TP53TSHR
SCHEMBL29652066 0.84 GPR35 (0.54) GPR35HPGDSMN1; SMN2TP53TSHR
SCHEMBL888475 0.83 GPR35 (0.64) GPR35HPGDSMN1; SMN2TP53TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116640295-A Water-soluble polycarbonate material and synthesis method thereof 大连理工大学 2023-08-25 CN claimed
CN-114315915-B Binuclear Schiff base cobalt complex and preparation method and application thereof 中国科学院长春应用化学研究所 2023-06-20 CN claimed
CN-115838453-A High-molecular heteronuclear porphyrin complex and preparation method and application thereof 中国科学院长春应用化学研究所 2023-03-24 CN claimed
US-11608416-B2 Method for synthesizing aliphatic polyester block copolymer regulated by carbon monoxide HUAZHONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2023-03-21 US claimed
CN-115779962-A Bi-component organic catalytic system consisting of hydrogen bond donor-nucleophilic bifunctional reagent and organic boron reagent and application thereof 浙江大学 2023-03-14 CN claimed
CN-115746034-A Three-function organic catalyst, preparation method and application thereof 浙江大学 2023-03-07 CN claimed
US-20220332901-A1 METHOD FOR SYNTHESIZING ALIPHATIC POLYESTER BLOCK COPOLYMER REGULATED BY CARBON MONOXIDE HUAZHONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2022-10-20 US claimed
CN-111944148-B High-optical-property degradable polycarbonate and preparation method thereof 大连理工大学 2022-05-17 CN claimed
CN-113307973-B Poly disulfide material with excellent optical performance and preparation method thereof 大连理工大学 2022-04-12 CN claimed
CN-112812230-B Catalytic load polymer and preparation method and application thereof 浙江大学 2022-03-25 CN claimed
CN-101265189-A Process for preparing 4,6-dinitroresorcinol SHANGHAI ANLU CHEMICAL INDUSTR (CN) 2008-09-17 CN claimed
CN-101250118-A Method for preparing 4,6-diaminoresorcinol hydrochloride CANGZHOU JIANXIN CHEMICAL INDU (CN) 2008-08-27 CN claimed
CN-1326831-C 4-amino-6-nitro resorcin hydrochloride, and its preparation and use UNIV ZHEJIANG TECHNOLOGY (CN) 2007-07-18 CN claimed
CN-1275950-C AB type poly(p-phenyl) benzdioxan monomer and its preparation and use UNIV ZHEJIANG POLYTECHNIC (CN) 2006-09-20 CN claimed
CN-1644578-A AB type poly(p-phenyl) benzdioxan monomer and its preparation and use UNIV ZHEJIANG POLYTECHNIC (CN) 2005-07-27 CN claimed
CN-1165521-C Process for preparing 4,6-diamino-m-benzenediol 三井化学株式会社 2004-09-08 CN claimed
CN-1276369-A Process for preparing 4,6-diamino-m-benzenediol MITSUI CHEMICALS INC (JP) 2000-12-13 CN claimed
US-4487975-A Etherification of phenols RHONE-POULENC INDUSTRIES (FR) 1984-12-11 US claimed
EP-0010451-A1 Process for the delignification of lignocellulosic material and products thereof C.I.L. Inc. (CA) 1980-04-30 EP claimed
US-4036680-A Delignification of lignocellulosic material with a soda pulping liquor containing a Diels Alder adduct of benzoquinone or naphthoquinone in admixture with a nitro aromatic compound CANADIAN INDUSTRIES, LTD. (CA) 1977-07-19 US claimed