SCHEMBL6935992

SCHEMBL6935992

Nc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1S(=O)(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
CYP3A4 P08684 1/20 0.56
GPR35 Q9HC97 5/20 0.54
LMNA P02545 1/20 0.54
NT5E P21589 2/20 0.49
NSD2 O96028 1/20 0.46
GAA P10253 1/20 0.46
PLCG1 P19174 1/20 0.46
DNMT1 P26358 1/20 0.46
CASP6 P55212 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TDP1 Q9NUW8 3/20 0.46
KMT2A Q03164 3/20 0.44
HPGD P15428 2/20 0.44
MAPK1 P28482 2/20 0.44
HTT P42858 2/20 0.44
MEN1 O00255 2/20 0.44
POLB P06746 1/20 0.44
KDM4E B2RXH2 1/20 0.44
TTR P02766 1/20 0.44

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
SCHEMBL10709270 0.83 CASP6 (0.63) ALDH1A1CYP3A4GPR35LMNANT5E
SCHEMBL2960533 0.83 ALDH1A1 (0.56) ALDH1A1CYP3A4GPR35LMNATDP1
SCHEMBL9355259 0.83 NT5E (0.60) ALDH1A1CYP3A4GPR35LMNANT5E
SCHEMBL10400731 0.83 ALDH1A1 (0.67) ALDH1A1CYP3A4GPR35LMNANT5E
SCHEMBL11245457 0.81 NT5E (0.48) ALDH1A1CYP3A4GPR35LMNANT5E
SCHEMBL8589797 0.81 XDH (0.55) ALDH1A1CYP3A4GPR35LMNANT5E
SCHEMBL11239845 0.81 GPR35 (0.50) ALDH1A1CYP3A4GPR35LMNANT5E
SCHEMBL11648713 0.81 GPR35 (0.61) ALDH1A1GPR35LMNANT5ENSD2
SCHEMBL7441311 0.81 GPR35 (0.47) ALDH1A1CYP3A4GPR35LMNANT5E
SCHEMBL19071901 0.81 GPR35 (0.47) ALDH1A1CYP3A4GPR35LMNANT5E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0777703-B1 DICYCLIC METAL COMPLEX FORMAZAN DERIVATIVES, PROCESS FOR PRODUCING THE SAME, COMPOSITION CONTAINING THE SAME AND DYEING PROCESS EMPLOYING THE SAME KYUNGIN SYNTHETIC CORP (KR) 2003-06-25 EP disclosed
US-6407220-B1 FOR DYEING AND PRINTING OF MATERIALS CONTAINING CELLULOSE FIBERS; HIGH FIXATION AND GOOD BUILD-UP EVERLIGHT USA, INC. 2002-06-18 US disclosed
US-5858026-A EXCELLENT DYEING PROPERTIES COMPARED TO THE TRICYCLIC METAL FORMAZAN COMPOUNDS; POST-DYEING SUNLIGHT AND WASHFASTNESS KYUNG-IN SYNTHETIC CORPORATION (KR) 1999-01-12 US disclosed
EP-0777703-A2 DICYCLIC METAL COMPLEX FORMAZAN DERIVATIVES, PROCESS FOR PRODUCING THE SAME, COMPOSITION CONTAINING THE SAME AND DYEING PROCESS EMPLOYING THE SAME Kyungin Synthetic Corporation (KR) 1997-06-11 EP disclosed
WO-1996033240-A2 DICYCLIC METAL COMPLEX FORMAZAN DERIVATIVES, PROCESS FOR PRODUCING THE SAME, COMPOSITION CONTAINING THE SAME AND DYEING PROCESS EMPLOYING THE SAME KYUNG-IN SYNTHETIC CORPORATION (KR) 1996-10-24 WO disclosed
EP-0416363-B1 Modification of Polyarylenesulfides BAYER AG (DE) 1995-11-15 EP disclosed
EP-0374815-B1 Complex copper formazane compounds, process for their preparation and their use as dyestuffs HOECHST AG (DE) 1994-05-04 EP disclosed
US-5286809-A Glass fiber reinforced polyamide 6, polyphenylene sulfide grated with sulfonaphthalene diacid anhydride BAYER AG (DE) 1994-02-15 US disclosed
EP-0492246-A2 Thermoplastic moulding compositions BAYER AG (DE) 1992-07-01 EP disclosed
US-5086129-A POLYARYLENE SULPHIDE MODIFIED WITH ARYL SULFONIC ACID CONTAINING AMINO OR HYDROXYL GROUP BAYER AKTIENGESELLSCHAFT (DE) 1992-02-04 US disclosed
WO-1990000572-A1 HYDROGEL DYE FILM SENSING ELEMENTS AND THEIR PREPARATION NELLCOR INCORPORATED (US) 1990-01-25 WO disclosed
EP-0263074-A2 Mixed crystals of laked azo dyes CIBA-GEIGY AG (CH) 1988-04-06 EP disclosed
EP-0135040-B1 COPPER COMPLEX FORMAZAN COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS DYESTUFFS HOECHST AKTIENGESELLSCHAFT (DE) 1987-06-24 EP disclosed
EP-0072501-B1 ASYMMETRIC 1:2 CHROMIUM-COMPLEX DYESTUFFS BAYER AG (DE) 1986-12-03 EP disclosed
US-4607098-A Bicyclic copper complex formazan compounds having a fiber-reactive group of the vinyl sulfone series, containing a fiber-reactive group suitable as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1986-08-19 US disclosed
EP-0175204-A1 Unsymmetrical 1:2 chromium complex dyestuffs BAYER AG (DE) 1986-03-26 EP disclosed
EP-0066230-B1 1:2-ASYMMETRIC DYESTUFFS OF CHROMIUM BAYER AG (DE) 1986-03-05 EP disclosed
EP-0135040-A1 Copper complex formazan compounds, process for their preparation and their use as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1985-03-27 EP disclosed
US-4029597-A AZO DYES HAVING A SULFONIC ACID OR CARBOXYL GROUP E. MERCK A. G. (DT) 1977-06-14 US disclosed
US-4029598-A AZO DYES HAVING A SULFONIC ACID OR CARBOXYL GROUP E. MERCK A. G. (DT) 1977-06-14 US disclosed