SCHEMBL269845

SCHEMBL269845

COc1ccc([N+](=O)[O-])cc1N

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 1.00
HTT P42858 3/20 0.77
MAPT P10636 3/20 0.60
RECQL P46063 1/20 0.60
DUSP3 P51452 1/20 0.60
PTPN5 P54829 1/20 0.60
PTPN11 Q06124 1/20 0.60
CYP3A4 P08684 4/20 0.59
TSHR P16473 1/20 0.59
ALDH1A1 P00352 6/20 0.56
LMNA P02545 3/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
THRB P10828 2/20 0.55
GAA P10253 1/20 0.55
CYP19A1 P11511 1/20 0.53
PTGS2 P35354 1/20 0.53
PKM P14618 1/20 0.50
ALOX15 P16050 1/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49

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
SCHEMBL3462835 1.00 TDP1 (1.00) TDP1HTTMAPTRECQLDUSP3
Hydrochloric Acid SCHEMBL21772081 0.98 TDP1 (0.96) TDP1HTTMAPTRECQLDUSP3
Ammonia Solution, Strong SCHEMBL10880861 0.98 TDP1 (0.96) TDP1HTTMAPTRECQLDUSP3
Aniline SCHEMBL22169236 0.91 TDP1 (0.82) TDP1HTTMAPTRECQLDUSP3
SCHEMBL6639856 0.89 TDP1 (0.79) TDP1HTTMAPTRECQLDUSP3
SCHEMBL222283 0.87 HTT (1.00) TDP1HTTMAPTRECQLDUSP3
SCHEMBL31297153 0.85 HTT (0.96) TDP1HTTMAPTRECQLDUSP3
SCHEMBL11296547 0.85 TDP1 (0.73) TDP1HTTMAPTRECQLDUSP3
SCHEMBL4969734 0.84 TDP1 (0.71) TDP1HTTMAPTRECQLDUSP3
Nitrogen SCHEMBL18840092 0.84 HTT (0.93) TDP1HTTMAPTRECQLDUSP3

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 1151 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3561003-A1 A HYBRID PIGMENT, METHOD FOR PREPARATION THEREOF AND USES THEREOF Clariant Plastics & Coatings Ltd (CH) 2019-10-30 EP claimed
WO-2018187812-A1 HIGH-RATE TREATMENT OF 3-NITRO-1,2,4-TRIAZOL-5-ONE (NTO) AND OTHER MUNITIONS COMPOUNDS ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2018-10-11 WO claimed
US-9523935-B1 Electrostatic charge image developing toner, electrostatic charge image developer, and toner cartridge FUJI XEROX CO., LTD. (JP) 2016-12-20 US claimed
EP-2486115-B1 ELECTRORHEOLOGIC FLUID COMPRISING ORGANIC SUBSTANCES THAT CAN BE DOPED AND USE THEREOF FRAUNHOFER GES FORSCHUNG (DE) 2015-05-20 EP claimed
US-8729153-B2 Aqueous pigment dispersion for ink-jet ink and ink-jet ink composition DAINIPPON INK AND CHEMICALS, INC. (JP) 2014-05-20 US claimed
EP-2717693-A1 SKIN TREATMENTS CONTAINING PYRROLOQUINOLINE QUININE (PQQ) ESTERS AND METHODS OF PREPARATION AND USE THEREOF US CosmeceuTechs LLC (US) 2014-04-16 EP claimed
EP-1668082-B1 LAKED AZO RED PIGMENT AND PROCESSES FOR PREPARATION AND USE BASF CATALYSTS LLC (US) 2013-01-09 EP claimed
CN-102838556-A Synthesis method of 2-(2-methoxy-4-nitrophenyl)-3-(4-nitrophenyl)-5-(2,4-disulfophenyl)-2H-tetrazole monosodium salt UNIV ZHENGZHOU 2012-12-26 CN claimed
WO-2012170378-A1 SKIN TREATMENTS CONTAINING PYRROLOQUINOLINE QUININE (PQQ) ESTERS AND METHODS OF PREPARATION AND USE THEREOF US COSMECEU TECHS, LLC (US) 2012-12-13 WO claimed
EP-1666547-B1 AQUEOUS PIGMENT DISPERSION FOR INK-JET INK AND INK-JET INK COMPOSITION DAINIPPON INK & CHEMICALS (JP) 2010-06-09 EP claimed
EP-0411604-A2 Method and kit for determination of components KYOWA MEDEX CO.LTD. (JP) 1991-02-06 EP claimed
EP-0217197-A2 Determination of bilirubin and corresponding reagents F. HOFFMANN-LA ROCHE AG (CH) 1987-04-08 EP claimed
EP-0079303-B1 STABILIZED COVERING FORM OF CI PIGMENT YELLOW 74 CIBA-GEIGY AG (CH) 1986-03-05 EP claimed
US-4457783-A Stabilized opaque form of C.I. Pigment Yellow 74 CIBA-GEIGY CORPORATION (US) 1984-07-03 US claimed
EP-0057418-B1 NITRO-ANILINE PREPARATIONS HOECHST AKTIENGESELLSCHAFT (DE) 1984-05-02 EP claimed
US-4416982-A REACTING WITH PHENOLIC COMPOUND OR ANILINE COMPOUND IN THE PRESENCE OF PEROXIDASE KYOWA HAKKO KOGYO CO., LTD. (JP) 1983-11-22 US claimed
EP-0079303-A2 Stabilized covering form of CI pigment yellow 74 CIBA-GEIGY AG (CH) 1983-05-18 EP claimed
US-4368054-A Compositions of nitro-anilines for producing azo dyes on fibers HOECHST AKTIENGESELLSCHAFT (DE) 1983-01-11 US claimed
EP-0057418-A1 Nitro-aniline preparations HOECHST AKTIENGESELLSCHAFT (DE) 1982-08-11 EP claimed
US-4288362-A Monoazo pigments containing a quinazo linonylacetoacetanilide coupling component BAYER AKTIENGESELLSCHAFT (DE) 1981-09-08 US claimed