SCHEMBL7543508

SCHEMBL7543508

NCCCCC(Nc1c([N+](=O)[O-])cccc1[N+](=O)[O-])C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
KAT2B Q92831 2/20 0.42
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
FOLH1 Q04609 1/20 0.40
GRM8 O00222 1/20 0.39
GRM4 Q14833 1/20 0.39
CTSD P07339 1/20 0.38
CYP1A2 P05177 2/20 0.38
TSHR P16473 1/20 0.38
HPGDS O60760 1/20 0.38
NRP1 O14786 1/20 0.38
TLR2 O60603 1/20 0.37
ACE P12821 1/20 0.37
PDF Q9HBH1 1/20 0.37

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
SCHEMBL7543514 1.00 MMP2 (0.47) MMP2MMP9KDM4EALDH1A1MAPT
SCHEMBL16097454 0.86 MMP2 (0.41) MMP2MMP9KDM4EALDH1A1MAPT
SCHEMBL16097448 0.86 MMP2 (0.41) MMP2MMP9KDM4EALDH1A1MAPT
SCHEMBL3259207 0.85 KAT2B (0.44) MMP2MMP9KDM4EALDH1A1MAPT
SCHEMBL8749852 0.85 KAT2B (0.44) MMP2MMP9KDM4EALDH1A1MAPT
SCHEMBL29625792 0.85 GAA (0.48) MMP2MMP9ALDH1A1MAPTFOLH1
Hydrochloric Acid SCHEMBL9225169 0.84 KAT2B (0.45) MMP2MMP9KDM4EALDH1A1MAPT
SCHEMBL13555231 0.80 ALDH1A1 (0.45) KDM4EALDH1A1MAPTCTSDCYP1A2
SCHEMBL2988595 0.79 MMP2 (0.49) MMP2MMP9CA1CA2FOLH1
SCHEMBL17968504 0.79 ALDH1A1 (0.48) MMP2MMP9KDM4EALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0876602-B1 DETERMINATION OF AN ANALYTE IN LIQUID MEDIUM YISSUM RES DEV CO (IL) 2002-05-29 EP disclosed
US-6214205-B1 ELECTROLYSIS YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2001-04-10 US disclosed
EP-0876602-A1 DETERMINATION OF AN ANALYTE IN LIQUID MEDIUM YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 1998-11-11 EP disclosed
WO-1997027474-A1 DETERMINATION OF AN ANALYTE IN A LIQUID MEDIUM YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 1997-07-31 WO disclosed