SCHEMBL504562

SCHEMBL504562

O=C(O)c1cc(Sc2ccc([N+](=O)[O-])c(C(=O)O)c2)ccc1[N+](=O)[O-]

nearest known ligand 0.81

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DTYMK P23919 1/20 0.81
CASP6 P55212 1/20 0.49
PDE7A Q13946 1/20 0.47
POLB P06746 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.45
APEX1 P27695 1/20 0.45
TSHR P16473 3/20 0.45
BCL2L1 Q07817 1/20 0.44
LMNA P02545 2/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
GSTP1 P09211 3/20 0.43
GSTM2 P28161 3/20 0.43
ALDH1A1 P00352 1/20 0.41
TTR P02766 1/20 0.41
PPOX P50336 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL9202599 0.91 DTYMK (0.68) DTYMKCASP6PDE7APOLBMEN1
SCHEMBL29353295 0.89 DTYMK (1.00) DTYMKCASP6POLBMEN1KMT2A
SCHEMBL26775 0.89 DTYMK (1.00) DTYMKCASP6POLBMEN1KMT2A
SCHEMBL143541 0.89 DTYMK (1.00) DTYMKCASP6POLBMEN1KMT2A
SCHEMBL29388000 0.88 DTYMK (0.97) DTYMKCASP6POLBMEN1KMT2A
SCHEMBL2470206 0.88 DTYMK (0.78) DTYMKCASP6POLBMEN1KMT2A
SCHEMBL8577281 0.88 DTYMK (0.97) DTYMKCASP6POLBMEN1KMT2A
SCHEMBL10346200 0.87 DTYMK (0.71) DTYMKCASP6PDE7APOLBMEN1
SCHEMBL4820050 0.86 DTYMK (0.76) DTYMKCASP6POLBMEN1KMT2A
SCHEMBL1673373 0.86 DTYMK (0.76) DTYMKCASP6POLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2397558-B1 ENZYME REACTION REAGENT, ENZYME REACTION REAGENT KIT AND METHOD FOR STORING LIQUID FOR ENZYMATIC REACTION TAIYO NIPPON SANSO CORP (JP) 2015-02-25 EP disclosed
US-20120028331-A1 ENZYMATIC REACTION REAGENT, ENZYMATIC REACTION REAGENT KIT AND METHOD FOR STORING LIQUID FOR ENZYMATIC REACTION TAIYO NIPPON SANSO CORPORATION (JP) 2012-02-02 US disclosed
US-7449338-B2 Tests for the rapid evaluation of ischemic states and kits ISCHEMIA TECHNOLOGIES, INC. (US) 2008-11-11 US disclosed
US-7297544-B2 Detecting an albumin N-terminal derivative, a blood test for checking the alteration of serum protein albumin following an ischemic event ISCHEMIA TECHNOLOGIES, INC. (US) 2007-11-20 US disclosed
US-7282369-B2 Tests for the rapid evaluation of ischemic states and kits ISCHEMIA TECHNOLOGIES, INC. (US) 2007-10-16 US disclosed
US-20050142613-A1 Test for the rapid evaluation of ischemic states and kits GENERAL ELECTRIC CAPITAL CORPORATION, AS AGENT 2005-06-30 US disclosed
WO-2004054431-A2 TESTS FOR THE RAPID EVALUATION OF ISCHEMIC STATES AND KITS ISCHEMIA TECHNOLOGIES, INC. (US) 2004-07-01 WO disclosed
US-20030215359-A1 Tests for the rapid evaluation of ischemic states and kits ISCHEMIA TECHNOLOGIES, INC. 2003-11-20 US disclosed
US-20030215952-A1 Tests for the rapid evaluation of ischemic states and kits ISCHEMIA TECHNOLOGIES, INC. 2003-11-20 US disclosed
US-20030194813-A1 Tests for the rapid evaluation of ischemic states and kits ISCHEMIA TECHNOLOGIES, INC. (US) 2003-10-16 US disclosed
US-20030190691-A1 Tests for the rapid evaluation of ischemic states and kits ALERE SAN DIEGO, INC. (FKA BIOSITE INC. OR FKA CHOLESTECH CORP. OR FKA HEMOSENSE INC. OR FKA INVERNESS MEDICAL-BIOSTAR INC. OR FKA ISCHEMIA TECHNOLOGIES, INC. OR FKA TWISTDX, INC.) 2003-10-09 US disclosed
US-20030180820-A1 Tests for the rapid evaluation of ischemic states and kits ALERE SAN DIEGO, INC. (FKA BIOSITE INC. OR FKA CHOLESTECH CORP. OR FKA HEMOSENSE INC. OR FKA INVERNESS MEDICAL-BIOSTAR INC. OR FKA ISCHEMIA TECHNOLOGIES, INC. OR FKA TWISTDX, INC.) 2003-09-25 US disclosed
EP-1125107-A4 TESTS FOR THE RAPID EVALUATION OF ISCHEMIC STATES AND KITS ISCHEMIA TECH INC (US) 2002-04-17 EP disclosed
EP-1125107-A1 TESTS FOR THE RAPID EVALUATION OF ISCHEMIC STATES AND KITS Ischemia Technologies, Inc. (US) 2001-08-22 EP disclosed
WO-2000020840-A1 TESTS FOR THE RAPID EVALUATION OF ISCHEMIC STATES AND KITS ISCHEMIA TECHNOLOGIES, INC. (US) 2000-04-13 WO disclosed