SCHEMBL919023

SCHEMBL919023

O=C1c2ccccc2-c2c1c([N+](=O)[O-])c([N+](=O)[O-])c([N+](=O)[O-])c2[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
CYP3A4 P08684 3/20 0.57
TSHR P16473 1/20 0.57
PTPRC P08575 4/20 0.55
S100A4 P26447 4/20 0.55
MAPT P10636 4/20 0.50
POLB P06746 2/20 0.50
APEX1 P27695 1/20 0.50
CASP6 P55212 1/20 0.50
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
MAPK1 P28482 2/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
STAT6 P42226 1/20 0.47
HIF1A Q16665 1/20 0.47

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
SCHEMBL28251834 0.82 ALDH1A1 (0.56) ALDH1A1CYP3A4TSHRPTPRCS100A4
SCHEMBL29658111 0.82 ALDH1A1 (0.56) ALDH1A1CYP3A4TSHRPTPRCS100A4
SCHEMBL28157514 0.82 ALDH1A1 (0.43) ALDH1A1CYP3A4TSHRPTPRCS100A4
SCHEMBL10626632 0.82 MAPT (0.53) ALDH1A1CYP3A4TSHRPTPRCS100A4
SCHEMBL11676272 0.82 ALDH1A1 (0.51) ALDH1A1CYP3A4TSHRPTPRCS100A4
SCHEMBL7529334 0.80 ALDH1A1 (0.50) ALDH1A1CYP3A4TSHRPTPRCS100A4
SCHEMBL9044528 0.80 S100A4 (0.63) ALDH1A1CYP3A4TSHRPTPRCS100A4
SCHEMBL9344552 0.77 ALDH1A1 (0.50) ALDH1A1CYP3A4TSHRPTPRCS100A4
SCHEMBL11424411 0.77 ALDH1A1 (0.62) ALDH1A1CYP3A4TSHRPTPRCS100A4
SCHEMBL149722 0.77 ALDH1A1 (0.62) ALDH1A1CYP3A4TSHRPTPRCS100A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006009824-A2 PHOTOCHROMIC COMPOSITON IN A SOLID MATRIX NANOMAT, INC. (US) 2006-01-26 WO claimed
US-20050026072-A1 Photochromic composition in a solid matrix NGX, INC. 2005-02-03 US claimed
EP-0991736-B8 METHOD FOR SEPARATING BENZOTHIOPHENE COMPOUNDS FROM A HYDROCARBON MIXTURE CONTAINING THEM CENTRE NAT RECH SCIENT (FR) 2003-05-07 EP claimed
EP-0991736-B1 METHOD FOR SEPARATING BENZOTHIOPHENE COMPOUNDS FROM A HYDROCARBON MIXTURE CONTAINING THEM CENTRE NAT RECH SCIENT (FR) 2003-01-29 EP claimed
US-6441264-B1 COMPLEXING OF HYDROCARBONS; SOLVENT EXTRACTION; PURIFICATIONBENZOTHIOPHENE COMPOUND TOTAL RAFFINAGE DISTRIBUTION S.A. (FR) 2002-08-27 US claimed
WO-2002024837-A1 METHOD FOR DENITROGENATION OF OIL FRACTIONS BY FORMING CHARGE TRANSFER COMPLEXES TOTALFINAELF FRANCE (FR) 2002-03-28 WO claimed
EP-0991736-A1 METHOD FOR SEPARATING BENZOTHIOPHENE COMPOUNDS FROM A HYDROCARBON MIXTURE CONTAINING THEM CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2000-04-12 EP claimed
WO-1998056875-A1 METHOD FOR SEPARATING BENZOTHIOPHENE COMPOUNDS FROM A HYDROCARBON MIXTURE CONTAINING THEM, AND HYDROCARBON MIXTURE OBTAINED BY SAID METHOD CNRS-CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 1998-12-17 WO claimed
EP-0400989-B1 Method for spectroscopic analysis of hydrocarbons, method for chromatographic analysis of hydrocarbons and hydrocarbon refining operation using these methods EXXON RESEARCH ENGINEERING CO (US) 1997-04-02 EP claimed
EP-0514786-B1 Hologram recording material, hologram recording device, method of manufacturing the same, and method of hologram recording MATSUSHITA ELECTRIC INDUSTRIAL CO LTD (JP) 1997-03-19 EP claimed
US-4647520-A Electrophotographic photoreceptor containing an azo compound KONOSHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1987-03-03 US claimed
EP-0188055-A2 Photoreceptor KONICA CORPORATION (JP) 1986-07-23 EP claimed
US-4579800-A HIGH STABILITY WITH RESPECT TO LIGHT AND HEAT KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1986-04-01 US claimed
US-4576886-A ELECTROGRAPHY KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1986-03-18 US claimed
EP-0155135-A2 Methods of assay SERONO DIAGNOSTICS LIMITED (GB) 1985-09-18 EP claimed
EP-0153145-A2 Photoreceptor KONICA CORPORATION (JP) 1985-08-28 EP claimed
EP-0145348-A2 Photoreceptor KONICA CORPORATION (JP) 1985-06-19 EP claimed
US-4226928-A PHTHALOCYANINE LAYER, AROMATIC NITRO COMPOUND, POLYVINYLCARBAZOLE PHOTOCONDUCTOR MITA INDUSTRIAL COMPANY, LTD. (JP) 1980-10-07 US claimed
US-4214907-A Photosensitive material for electrophotography having a polyvinyl carbazole derivative, phthalocyanine, and an electron-acceptor MITA INDUSTRIAL COMPANY, LTD. (JP) 1980-07-29 US claimed
US-4129554-A PICRIC ACID, QUINONE, CHLORANIL, CYANOACETATE ESTER HITACHI CHEMICAL CO., LTD. (JP) 1978-12-12 US claimed