SCHEMBL7838995

SCHEMBL7838995

Nc1cc([N+](=O)[O-])ccc1Nc1ccc2cc(S(=O)(=O)O)cc(S(=O)(=O)O)c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
GFER P55789 2/20 0.55
GAA P10253 2/20 0.55
KDM4E B2RXH2 1/20 0.55
ATM Q13315 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
NT5E P21589 3/20 0.54
CASP6 P55212 3/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ENPP2 Q13822 2/20 0.43
DUSP3 P51452 2/20 0.42
PTPN5 P54829 2/20 0.42
PTPN11 Q06124 2/20 0.42
NSD2 O96028 2/20 0.42
CASP7 P55210 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
SCHEMBL7839318 0.84 MAPT (0.72) MAPTMEN1KMT2AGFERGAA
SCHEMBL10711430 0.81 NSD2 (0.57) MAPTMEN1KMT2AGFERGAA
SCHEMBL9821082 0.80 MAPT (0.60) MAPTMEN1KMT2AGFERGAA
SCHEMBL7829819 0.79 MAPT (0.65) MAPTMEN1KMT2AGFERGAA
SCHEMBL10710872 0.79 NT5E (0.57) MAPTMEN1KMT2AGFERGAA
SCHEMBL10708172 0.77 NT5E (0.55) MAPTMEN1KMT2AGFERGAA
SCHEMBL11104382 0.77 NT5E (0.70) MAPTMEN1KMT2AGFERGAA
SCHEMBL11110261 0.76 NT5E (0.69) MAPTMEN1KMT2AGFERGAA
SCHEMBL10890621 0.75 CASP6 (0.59) MAPTMEN1KMT2AGAAKDM4E
SCHEMBL9308970 0.75 NT5E (0.54) MAPTMEN1KMT2AGAAATM

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 3 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-0675172-A2 Water-solable azo compounds, process for their preparation and their use as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1995-10-04 EP disclosed