SCHEMBL7839318

SCHEMBL7839318

Nc1cc([N+](=O)[O-])ccc1Nc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.72
MEN1 O00255 5/20 0.72
KMT2A Q03164 5/20 0.72
TDP1 Q9NUW8 5/20 0.72
GFER P55789 2/20 0.72
GAA P10253 2/20 0.72
KDM4E B2RXH2 1/20 0.72
ATM Q13315 1/20 0.72
NT5E P21589 1/20 0.62
MAPK1 P28482 3/20 0.55
RECQL P46063 1/20 0.49
DUSP3 P51452 1/20 0.49
PTPN5 P54829 1/20 0.49
PTPN11 Q06124 1/20 0.49
CTSV O60911 2/20 0.47
CTSL P07711 2/20 0.47
THRB P10828 1/20 0.46
ALDH1A1 P00352 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
RAPGEF4 Q8WZA2 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
SCHEMBL7829819 0.87 MAPT (0.65) MAPTMEN1KMT2ATDP1GFER
SCHEMBL608504 0.84 MAPT (0.68) MAPTMEN1KMT2ATDP1GFER
SCHEMBL608505 0.84 MAPT (0.68) MAPTMEN1KMT2ATDP1GFER
SCHEMBL14475660 0.84 MAPT (1.00) MAPTMEN1KMT2ATDP1GFER
SCHEMBL7838995 0.84 MAPT (0.55) MAPTMEN1KMT2ATDP1GFER
SCHEMBL9821082 0.82 MAPT (0.60) MAPTMEN1KMT2ATDP1GFER
SCHEMBL6582107 0.81 MAPT (1.00) MAPTMEN1KMT2ATDP1GFER
SCHEMBL10720084 0.81 RAPGEF4 (0.62) MAPTMEN1KMT2ATDP1GFER
SCHEMBL7354325 0.81 MAPT (0.72) MAPTMEN1KMT2ATDP1GFER
SCHEMBL10627788 0.81 MAPT (0.72) MAPTMEN1KMT2ATDP1GFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0675172-B1 Water-solable azo compounds, process for their preparation and their use as dyestuffs DYSTAR TEXTILFARBEN GMBH & CO (DE) 2001-04-11 EP disclosed
US-5539088-A PROVIDE DYEINGS IN BRILLIANT SHADES WITH GOOD FASTNESS PROPERTIES AND HIGH DEGREE OF FIXATION HOECHST AKTIENGESELLSCHAFT (DE) 1996-07-23 US disclosed
EP-0416363-B1 Modification of Polyarylenesulfides BAYER AG (DE) 1995-11-15 EP disclosed
EP-0675172-A2 Water-solable azo compounds, process for their preparation and their use as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1995-10-04 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