SCHEMBL737722

SCHEMBL737722

Nc1ccc(-c2ccc(N)c([N+](=O)[O-])c2)cc1[N+](=O)[O-]

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 1.00
TDP1 Q9NUW8 5/20 1.00
MEN1 O00255 3/20 1.00
POLB P06746 3/20 1.00
KMT2A Q03164 3/20 1.00
ALDH1A1 P00352 3/20 0.69
CYP3A4 P08684 2/20 0.69
ALOX15 P16050 1/20 0.69
TSHR P16473 2/20 0.64
NPSR1 Q6W5P4 1/20 0.60
LMNA P02545 1/20 0.58
PKM P14618 1/20 0.58
GALR3 O60755 1/20 0.50
THRB P10828 1/20 0.50
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
GPR35 Q9HC97 1/20 0.47
FFAR4 Q5NUL3 1/20 0.46
MCL1 Q07820 1/20 0.46

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
SCHEMBL29409289 1.00 MAPT (1.00) MAPTTDP1MEN1POLBKMT2A
Hydrochloric Acid SCHEMBL3973012 0.96 MAPT (0.92) MAPTTDP1MEN1POLBKMT2A
Hydrochloric Acid SCHEMBL3973011 0.96 MAPT (0.92) MAPTTDP1MEN1POLBKMT2A
SCHEMBL8601406 0.94 MAPT (0.88) MAPTTDP1MEN1POLBKMT2A
SCHEMBL9649469 0.92 TDP1 (0.85) MAPTTDP1MEN1POLBKMT2A
SCHEMBL3178960 0.92 MAPT (0.85) MAPTTDP1MEN1POLBKMT2A
SCHEMBL10714493 0.92 TDP1 (0.85) MAPTTDP1MEN1POLBKMT2A
SCHEMBL30581227 0.92 MAPT (0.85) MAPTTDP1MEN1POLBKMT2A
SCHEMBL30255693 0.90 TDP1 (0.81) MAPTTDP1MEN1POLBKMT2A
SCHEMBL653911 0.90 TDP1 (0.81) MAPTTDP1MEN1POLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117942953-A Ligand functional magnetic covalent organic framework adsorbent and synthesis method thereof 复旦大学 2024-04-30 CN claimed
EP-3538611-B1 POLYURETHANE COMPRISING GRAPHENE NANO STRUCTURE BASF SE (DE) 2023-08-02 EP claimed
US-11530292-B2 Polyurethane comprising graphene nano structure BASF SE 2022-12-20 US claimed
CN-109261128-B Boric acid type magnetic COFs material, preparation method and application thereof 西北大学 2021-11-02 CN claimed
US-20190315909-A1 POLYURETHANE COMPRISING GRAPHENE NANO STRUCTURE BASF CORPORATION 2019-10-17 US claimed
EP-3538611-A1 POLYURETHANE COMPRISING GRAPHENE NANO STRUCTURE BASF SE (DE) 2019-09-18 EP claimed
CN-109963910-A Polyurethane comprising graphene nano structure 巴斯夫欧洲公司 2019-07-02 CN claimed
CN-109261128-A A kind of borate type magnetism COFs material, preparation method and applications 西北大学 2019-01-25 CN claimed
CN-108543519-A A kind of simple and quick preparation method and application of covalent organic framework compound solid-phase micro-extraction coating 福州大学 2018-09-18 CN claimed
WO-2018089638-A1 POLYURETHANE COMPRISING GRAPHENE NANO STRUCTURE BASF SE (DE) 2018-05-17 WO claimed
EP-1730102-A1 A NOVEL CATALYTIC PROCESS FOR THE PRODUCTION OF 3,3 , 4,4'-TETRAMINOBIPHENYL Council of Scientific and Industrial Research (IN) 2006-12-13 EP claimed
WO-2006039824-A1 PHOTOCROSSLINKABLE MATERIALS ROLIC AG (CH) 2006-04-20 WO claimed
WO-2006020281-A1 POLYURETHANES AND URETHANE ACRYLICS MADE FROM HYDROXYL-TERMINATED THIOCARBONATE CONTAINING COMPOUNDS NOVEON, INC. (US) 2006-02-23 WO claimed
WO-2005092839-A1 A NOVEL CATALYTIC PROCESS FOR THE PRODUCTION OF 3,3', 4,4'-TETRAMINOBIPHENYL COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2005-10-06 WO claimed
US-6627377-B1 Soluble in organic solvents, which excels in adhesiveness, heat resistance, mechanical properties and flexibility, which shows properties of alkali-soluble highly sensitive positive-type photoresist PI R&D CO., LTD. (JP) 2003-09-30 US claimed
EP-1217439-A1 A protective polycarbonate-polyurethane overcoat for image recording elements EASTMAN KODAK COMPANY (US) 2002-06-26 EP claimed
US-6312858-B1 IMAGED PHOTOGRAPHIC ELEMENT COMPRISING: AT LEAST ONE IMAGED LAYER COMPRISING EITHER SILVER AND/OR THE REACTION PRODUCT OF A DEVELOPING AGENT AND A DYE-FORMING COUPLER, WHICH IMAGED LAYER IS SUPERPOSED ON A SIDE OF SAID SUPPORT EASTMAN KODAK COMPANY 2001-11-06 US claimed
EP-1024407-A1 POSITIVE PHOTOSENSITIVE POLYIMIDE COMPOSITION PI R & D Co Ltd (JP) 2000-08-02 EP claimed
US-5041666-A Acetylating biphenyl, oximating, double Beckmann rearrangement, nitrating, hydrolysis, and reducing HOECHST CELANESE CORPORATION (US) 1991-08-20 US claimed
US-4722946-A MIXTURE OF HIGH AND LOW-MOLECULAR WEIGHT DIOLS POLYMER DYNAMICS (DELAWARE), LTD. (US) 1988-02-02 US claimed