SCHEMBL2677183

SCHEMBL2677183

O=[N+]([O-])Cc1cccc([N+](=O)[O-])c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.67
LMNA P02545 2/20 0.61
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
ALDH1A1 P00352 5/20 0.52
TDP1 Q9NUW8 2/20 0.52
ACHE P22303 1/20 0.52
ALOX15 P16050 1/20 0.52
KMT2A Q03164 2/20 0.50
POLB P06746 1/20 0.50
MEN1 O00255 1/20 0.50
MAPT P10636 1/20 0.50
HSP90AA1 P07900 1/20 0.50
PYCR1 P32322 1/20 0.50
GAA P10253 1/20 0.48
HTT P42858 1/20 0.48
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48

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
SCHEMBL9321479 0.85 TSHR (0.45) TSHRLMNACYP1A2CYP2D6CYP2C9
SCHEMBL10918542 0.83 TSHR (0.71) TSHRLMNACYP1A2CYP2D6CYP2C9
Nitrobenzene SCHEMBL9397370 0.82 ALDH1A1 (0.67) TSHRLMNACYP1A2CYP2D6CYP2C9
SCHEMBL94845 0.82 TSHR (0.69) TSHRLMNACYP1A2CYP2D6CYP2C9
SCHEMBL8713184 0.82 TSHR (0.69) TSHRLMNACYP1A2CYP2D6CYP2C9
SCHEMBL5255228 0.81 TSHR (0.62) TSHRLMNACYP1A2CYP2D6CYP2C9
SCHEMBL1162739 0.80 TSHR (0.67) TSHRLMNACYP1A2CYP2D6CYP2C9
SCHEMBL132216 0.80 TSHR (0.67) TSHRLMNACYP1A2CYP2D6CYP2C9
SCHEMBL356063 0.80 TSHR (1.00) TSHRLMNACYP1A2CYP2D6CYP2C9
SCHEMBL189560 0.80 TSHR (0.67) TSHRLMNACYP1A2CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114907561-A Method for synthesizing photodegradable polyketone, catalyst used by method and preparation method of catalyst 中国石油天然气股份有限公司 2022-08-16 CN claimed
CN-108586504-B Synthesis method and use method of terbium complex with fluorescent colorimetric sensing performance 河南理工大学 2020-12-04 CN claimed
US-20080038832-A1 Method for Producing Molecularly Imprinted Polymers for the Recognition of Target Molecules MIP TECHNOLOGIES AB 2008-02-14 US claimed
EP-1802969-A1 METHOD FOR PRODUCING MOLECULARLY IMPRINTED POLYMERS FOR THE RECOGNITION OF TARGET MOLECULES MIP Technologies AB (SE) 2007-07-04 EP claimed
WO-2006041398-A1 METHOD FOR PRODUCING MOLECULARLY IMPRINTED POLYMERS FOR THE RECOGNITION OF TARGET MOLECULES MIP TECHNOLOGIES AB (SE) 2006-04-20 WO claimed
US-4377699-A REACTING INDOLINE WITH AN ORGANIC CARBOXYLIC ACID ACYLATING AGENT, CHLORINATION, SAPONIFICATION, FOLLOWED BY OXIDATION WITH AN AROMATIC NITRO COMPOUND RUTGERSWERKE AKTIENGESELLSCHAFT (DE) 1983-03-22 US claimed
US-11965068-B2 Cross-linked polymer networks and methods of making and using same CORNELL UNIVERSITY (US) 2024-04-23 US disclosed
CN-117255715-A Catalytic material suitable for hydrogenation reactions comprising Ni, one or more additional metals M and a specific oxidation support material 巴斯夫欧洲公司 2023-12-19 CN disclosed
CN-114907561-A Method for synthesizing photodegradable polyketone, catalyst used by method and preparation method of catalyst 中国石油天然气股份有限公司 2022-08-16 CN disclosed
CN-114797934-A Nitrogen-doped carbon nanotube supported palladium platinum catalyst and preparation method and application thereof 福州大学 2022-07-29 CN disclosed
CN-111044574-B Ultra-sensitive plastic bomb detection sensor 东南大学 2022-03-04 CN disclosed
CN-108586504-B Synthesis method and use method of terbium complex with fluorescent colorimetric sensing performance 河南理工大学 2020-12-04 CN disclosed
US-20200377679-A1 CROSS-LINKED POLYMER NETWORKS AND METHODS OF MAKING AND USING SAME CORNELL UNIVERSITY 2020-12-03 US disclosed
EP-0566783-A1 Process for the production of nitrodiarylamines AKZO N.V. (NL) 1993-10-27 EP disclosed
US-5136033-A Ion selective fluorogenic reagents ALLIED-SIGNAL INC. (US) 1992-08-04 US disclosed
US-4341898-A DEHYDROGENATION-ISOMERIZATION REACTION IN PRESENCE OF LEWIS ACID AIR PRODUCTS AND CHEMICALS, INC. (US) 1982-07-27 US disclosed
US-4158660-A Process for producing a purified 3,4-toluenediamine product and a mixture of 4- and 5-methylbenzotriazoles from a mixture of ortho-toluenediamine isomers OLIN CORPORATION (US) 1979-06-19 US disclosed
US-4064173-A 9,10-Seco-steroids HOFFMANN-LA ROCHE, INC. (US) 1977-12-20 US disclosed
US-4045490-A 9,10-Seco-steroid preparation HOFFMANN-LA ROCHE INC. (US) 1977-08-30 US disclosed
US-3984455-A Prostaglandin E1 analogs THE UPJOHN COMPANY (US) 1976-10-05 US disclosed