SCHEMBL3335019

SCHEMBL3335019

O=[N+]([O-])c1ccccc1-c1ccc(Oc2ccc(-c3ccccc3[N+](=O)[O-])cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.69
TDP1 Q9NUW8 2/20 0.69
GSTP1 P09211 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
CASP3 P42574 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
HRH2 P25021 1/20 0.44
HRH1 P35367 1/20 0.44
PIN1 Q13526 1/20 0.44
HTR7 P34969 1/20 0.44
ADAMTS4 O75173 1/20 0.44
PTPN1 P18031 1/20 0.44
S100A4 P26447 2/20 0.43
PTPRC P08575 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.42
HPGD P15428 1/20 0.42
RECQL P46063 1/20 0.42

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
SCHEMBL2961408 0.86 ALDH1A1 (0.65) ALDH1A1TDP1L3MBTL1NPC1RAB9A
SCHEMBL2958562 0.82 ALDH1A1 (0.92) ALDH1A1TDP1L3MBTL1ADAMTS4PTPN1
Benzene SCHEMBL28038982 0.82 ALDH1A1 (1.00) ALDH1A1TDP1L3MBTL1ADAMTS4PTPN1
SCHEMBL44392 0.82 ALDH1A1 (1.00) ALDH1A1TDP1L3MBTL1ADAMTS4PTPN1
SCHEMBL30196067 0.82 ALDH1A1 (1.00) ALDH1A1TDP1L3MBTL1ADAMTS4PTPN1
SCHEMBL7773844 0.82 ALDH1A1 (0.59) ALDH1A1TDP1NPC1RAB9ACASP3
SCHEMBL7821087 0.81 ALDH1A1 (0.74) ALDH1A1TDP1L3MBTL1HTR7ADAMTS4
SCHEMBL6747891 0.81 ALDH1A1 (0.74) ALDH1A1TDP1L3MBTL1ADAMTS4PTPN1
SCHEMBL4667326 0.80 ALDH1A1 (0.57) ALDH1A1TDP1ADAMTS4
SCHEMBL11792031 0.80 ALDH1A1 (0.88) ALDH1A1TDP1ADAMTS4PTPN1S100A4

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5112471-A Polymer, a nitrophenyl ether plastizer, quaternary ammonium or phosphonium salt HITACHI, LTD. (JP) 1992-05-12 US claimed
EP-0339613-A2 Ion selective electrode HITACHI, LTD. (JP) 1989-11-02 EP claimed
JP-61050603-A None JP disclosed
CN-118773142-A Hybridoma cell strain secreting nimex Shu Lishan clone antibody and application thereof 江南大学 2024-10-15 CN disclosed
US-8293940-B2 Process for recovery and purification of lactic acid Hyflux IP Resources Pte, Ltd. (SG) 2012-10-23 US disclosed
US-20100145096-A1 Process for Recovery and Purification of Lactic Acid HYFLUX IP RESOURCES PTE LTD (SG) 2010-06-10 US disclosed
WO-2007040458-A9 PROCESS FOR RECOVERY AND PURIFICATION OF LACTIC ACID HYFLUX IP RESOURCES PTE LTD (SG) 2007-06-14 WO disclosed
WO-2007040458-A1 PROCESS FOR RECOVERY AND PURIFICATION OF LACTIC ACID HYFLUX IP RESOURCES PTE LTD (SG) 2007-04-12 WO disclosed
US-5790627-A Method and apparatus for observing a specimen using an X-ray microscope RESEARCH DEVELOPMENT CORP. (JP) 1998-08-04 US disclosed
US-5112471-A Polymer, a nitrophenyl ether plastizer, quaternary ammonium or phosphonium salt HITACHI, LTD. (JP) 1992-05-12 US disclosed
EP-0149246-B1 OVERCOAT COMPOSITIONS CONTAINING NUCLEATING AGENTS AND ION-SELECTIVE ELECTRODES FOR CO2 DETERMINATIONS EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1990-02-28 EP disclosed
EP-0339613-A2 Ion selective electrode HITACHI, LTD. (JP) 1989-11-02 EP disclosed
EP-0260923-A2 Temperature sensing composition MEDICAL INDICATORS (a limited partnership under US law) (US) 1988-03-23 EP disclosed
JP-S6150603-A OPTICAL ISOMER SEPARATION MEMBRANE AGENCY OF IND SCIENCE & TECHNOL 1986-03-12 JP disclosed
EP-0149246-A2 Overcoat compositions containing nucleating agents and ion-selective electrodes for co2 determinations EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1985-07-24 EP disclosed
EP-0033707-B1 ELEMENT FOR LIQUID ANALYSIS HAVING INTERFERENT-REMOVAL ZONE AND METHOD FOR USING SAME EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1984-06-20 EP disclosed
EP-0074198-A1 Hydrogen ion-selective membranes and electrodes containing same EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1983-03-16 EP disclosed
US-4303408-A EXTRACTION ZONE BEFORE INDICATOR ZONE EASTMAN KODAK COMPANY (US) 1981-12-01 US disclosed
EP-0033707-A1 Element for liquid analysis having interferent-removal zone and method for using same EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1981-08-12 EP disclosed
US-4221715-A Substituted dibenz[b,f][1,4]oxazepin-11-yl pyridinium salts and derivatives thereof AMERICAN CYANAMID COMPANY (US) 1980-09-09 US disclosed