SCHEMBL181572

SCHEMBL181572

O=C(c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.78

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.78
CES1 P23141 1/20 0.78
TP53 P04637 1/20 0.75
TSHR P16473 4/20 0.72
ALDH1A1 P00352 3/20 0.72
KMT2A Q03164 4/20 0.67
MEN1 O00255 3/20 0.67
LMNA P02545 1/20 0.64
PRSS1 P07477 1/20 0.62
PRSS2 P07478 1/20 0.62
PRSS3 P35030 1/20 0.62
ALOX15 P16050 1/20 0.59
RXFP1 Q9HBX9 1/20 0.58
TDP2 O95551 2/20 0.57
POLB P06746 1/20 0.57
MAPT P10636 1/20 0.57
BLM P54132 1/20 0.57

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
SCHEMBL8962468 0.98 CES2 (0.75) CES2CES1TP53TSHRALDH1A1
SCHEMBL333455 0.94 TP53 (0.73) CES2CES1TP53TSHRALDH1A1
SCHEMBL11593026 0.94 CES2 (0.76) CES2CES1TP53TSHRALDH1A1
Benzene SCHEMBL28121215 0.93 TP53 (0.71) CES2CES1TP53TSHRALDH1A1
Iodide SCHEMBL28290571 0.93 TP53 (0.71) CES2CES1TP53TSHRALDH1A1
SCHEMBL11295596 0.93 TP53 (0.71) CES2CES1TP53TSHRALDH1A1
Bicarbonate SCHEMBL27282989 0.93 TP53 (0.71) CES2CES1TP53TSHRALDH1A1
SCHEMBL28217890 0.93 TP53 (0.71) CES2CES1TP53TSHRALDH1A1
SCHEMBL3234327 0.93 CES2 (0.68) CES2CES1TP53TSHRALDH1A1
Methane SCHEMBL27394350 0.93 TP53 (0.71) CES2CES1TP53TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114406182-A Self-hardening binder for casting and preparation method thereof 金耐源(河南)工业科技有限公司 2022-04-29 CN claimed
CN-109400481-B Method for synthesizing 3,3' -diaminobenzophenone by one-pot method 宏威高新材料有限公司 2021-11-30 CN claimed
CN-109935468-A A kind of ultralow temperature high voltage patch type aluminum capacitor electrolyte and preparation method thereof 湖州一力电子有限公司 2019-06-25 CN claimed
CN-104119285-A Compound used as estrogen-related receptor regulator and application of compound GUANGZHOU INST BIOMED & HEALTH 2014-10-29 CN claimed
CN-104080783-A Pyrrole compounds YAKULT HONSHA KK 2014-10-01 CN claimed
CN-100482651-C Diaminothiazoles HOFFMANN LA ROCHE (CH) 2009-04-29 CN claimed
CN-1487927-A Diaminothiazoles - 2004-04-07 CN claimed
EP-0212823-B1 PURIFICATION PROCESS OF 3,3'-DINITRODIPHENYL COMPOUNDS MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-02-07 EP claimed
EP-0098681-B1 NOVEL DINITROBENZOPHENONE SOLUTION AND PROCESS FOR PREPARING AN ETHER SOLUTION OF DIAMINOBENZOPHENONES THEREFROM CHEVRON RESEARCH COMPANY (US) 1988-08-17 EP claimed
US-4724268-A REACTING ORTHO AND PARA ISOMERS WITH ALCOHOL IN PRESENCE OF BASE MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1988-02-09 US claimed
EP-0212823-A1 Purification process of 3,3'-dinitrodiphenyl compounds MITSUI TOATSU CHEMICALS, Inc. (JP) 1987-03-04 EP claimed
US-4560800-A REACTING BENZOPHENONE WITH NITRIC ACID IN OLEUM, ADJUSTMENT OF WATER CONTENT, AND SOLVENT EXTRACTION WITH CHLORINATED HYDROCARBON GULF RESEARCH & DEVELOPMENT CO. (US) 1985-12-24 US claimed
EP-0059813-B1 PROCESS FOR PREPARING M,M'-DINITROBENZOPHENONE GULF RESEARCH & DEVELOPMENT COMPANY (US) 1985-03-27 EP claimed
EP-0098681-A2 Novel dinitrobenzophenone solution and process for preparing an ether solution of diaminobenzophenones therefrom CHEVRON RESEARCH COMPANY (US) 1984-01-18 EP claimed
US-4361704-A NITRATION OF BENZOPHENONE IN OLEUM GULF RESEARCH & DEVELOPMENT COMPANY (US) 1982-11-30 US claimed
EP-0059813-A1 Process for preparing m,m'-dinitrobenzophenone GULF RESEARCH & DEVELOPMENT COMPANY (US) 1982-09-15 EP claimed
CN-119684105-A N-phenyl isatin-mediated ketone-carboxylic acid conversion reaction method 贵州医科大学 2025-03-25 CN disclosed
CN-114406182-A Self-hardening binder for casting and preparation method thereof 金耐源(河南)工业科技有限公司 2022-04-29 CN disclosed
EP-0015441-A2 Laminated film structure of aromatic polyester and process for production thereof TEIJIN LIMITED (JP) 1980-09-17 EP disclosed
US-4196066-A UNSATURATED EPOXIDE TEIJIN LIMITED (JP) 1980-04-01 US disclosed