SCHEMBL4904

SCHEMBL4904

O=C(O)c1cccc(SSc2cccc(C(=O)O)c2[N+](=O)[O-])c1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.57
TSHR P16473 1/20 0.50
ALDH1A1 P00352 6/20 0.49
MAPT P10636 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 2/20 0.49
GAA P10253 1/20 0.49
RAB9A P51151 1/20 0.46
DTYMK P23919 1/20 0.45
LMNA P02545 2/20 0.44
HTT P42858 1/20 0.44
GSTP1 P09211 1/20 0.43
GSTM2 P28161 1/20 0.43
PSMD14 O00487 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA7 P43166 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
SCHEMBL1043222 1.00 POLB (0.57) POLBTSHRALDH1A1MAPTMEN1
SCHEMBL30534229 1.00 POLB (0.57) POLBTSHRALDH1A1MAPTMEN1
SCHEMBL27830765 0.89 TSHR (0.50) POLBTSHRALDH1A1MAPTMEN1
Propionitrile SCHEMBL5957011 0.87 POLB (0.44) POLBTSHRALDH1A1MAPTMEN1
SCHEMBL21802326 0.86 TSHR (0.47) POLBTSHRALDH1A1MAPTMEN1
SCHEMBL1744857 0.84 DTYMK (0.74) POLBTSHRALDH1A1MAPTMEN1
SCHEMBL1497989 0.84 TSHR (0.60) POLBTSHRALDH1A1MAPTMEN1
SCHEMBL7868252 0.83 POLB (0.41) POLBTSHRALDH1A1MAPTMEN1
SCHEMBL30490414 0.82 TSHR (0.58) POLBTSHRALDH1A1MAPTMEN1
SCHEMBL28171346 0.82 TSHR (0.58) POLBTSHRALDH1A1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210311057-A1 DETECTION OF GLUTATHIONYLATED PROTEINS THE UNIVERSITY OF VERMONT AND STATE AGRICULTURAL COLLEGE (US) 2021-10-07 US claimed
US-20180224452-A1 DETECTION OF GLUTATHIONYLATED PROTEINS THE UNIVERSITY OF VERMONT AND STATE AGRICULTURAL COLLEGE (US) 2018-08-09 US claimed
US-20150056633-A1 DETECTION OF GLUTATHIONYLATED PROTEINS THE UNIVERSITY OF VERMONT AND STATE AGRICULTURAL COLLEGE (US) 2015-02-26 US claimed
US-8039264-B2 Compositions, methods and kits for biarsenical fluorophore labeling Life Technologies Corporation (US) 2011-10-18 US claimed
US-20110014710-A1 COMPOSITIONS, METHODS AND KITS FOR BIARSENICAL FLUOROPHORE LABELING Life Technologies Corporation (US) 2011-01-20 US claimed
US-20080014595-A1 Detection of glutathionylated proteins THE UNIVERSITY OF VERMONT AND STATE AGRICULTURAL COLLEGE (US) 2008-01-17 US claimed
WO-2007087365-A2 DETECTION OF GLUTATHIONYLATED PROTEINS UNIVERSITY OF VERMONT AND STATE AGRICULTURAL COLLEGE (US) 2007-08-02 WO claimed
EP-1725586-A2 PARTIALLY LOADED ANTIBODIES AND METHODS OF THEIR CONJUGATION Seattle Genetics, Inc. (US) 2006-11-29 EP claimed
US-20050239135-A1 Compositions, methods and kits for biarsenical fluorophore labeling Life Technologies Corporation 2005-10-27 US claimed
WO-2005101019-A2 DETECTION OF NITROSYLATED PROTEINS UNIVERSITY OF VERMONT AND STATE AGRICULTURAL COLLEGE (US) 2005-10-27 WO claimed
WO-2005084390-A2 PARTIALLY LOADED ANTIBODIES AND METHODS OF THEIR CONJUGATION SEATTLE GENETICS, INC. (US) 2005-09-15 WO claimed
EP-1470242-A2 ENZYMATIC CYCLING ASSAYS FOR HOMOCYSTEINE AND CYSTATHIONINE Catch, Inc. (US) 2004-10-27 EP claimed
WO-2003040694-A2 ENZYMATIC CYCLING ASSAYS FOR HOMOCYSTEINE AND CYSTATHIONINE CATCH, INC. (US) 2003-05-15 WO claimed
EP-0567536-B1 METHOD FOR DIAGNOSING CELLULAR AGING OR INFLAMMATION CONDITION OF KERATINOCYTES, AND KIT FOR IMPLEMENTING SUCH METHOD OREAL (FR) 1995-03-22 EP claimed
US-4806494-A CELL-SPECIFIC; ANTITUMOR AND ANTICARCINOGENIC AGENTS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH & HUMAN SERVICES (US) 1989-02-21 US claimed
EP-0277970-A4 MONOCLONAL ANTIBODY AGAINST OVARIAN CANCER CELLS (OVB-3). PASTAN IRA (US) 1988-10-20 EP claimed
EP-0277970-A1 MONOCLONAL ANTIBODY AGAINST OVARIAN CANCER CELLS (OVB-3) Pastan, Ira (US) 1988-08-17 EP claimed
WO-1988000703-A1 MONOCLONAL ANTIBODY AGAINST OVARIAN CANCER CELLS (OVB-3) PASTAN IRA (US) 1988-01-28 WO claimed
US-4545985-A ANTICARCINOGENIC AGENTS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES (US) 1985-10-08 US claimed
EP-0017751-A1 Process for the production of graft copolymers of polyphenylene oxides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1980-10-29 EP claimed