SCHEMBL7059931

SCHEMBL7059931

NC(=S)[S-].NC(=S)[S-].[Fe+2].[Fe]

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 8/20 0.55
CA2 P00918 8/20 0.55
CA4 P22748 3/20 0.55
TSHR P16473 1/20 0.46
ATM Q13315 1/20 0.46
ATR Q13535 1/20 0.46
ALDH1A1 P00352 2/20 0.43
HSD17B10 Q99714 2/20 0.43
HPGD P15428 1/20 0.43
CA12 O43570 6/20 0.38
CA9 Q16790 6/20 0.38
THRB P10828 1/20 0.33
PTGS2 P35354 1/20 0.33
EHMT2 Q96KQ7 1/20 0.30
EHMT1 Q9H9B1 1/20 0.30

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
SCHEMBL673134 0.95
SCHEMBL27931913 0.90 CA1 (0.55) CA1CA2CA4TSHRATM
Zinc Ion SCHEMBL1765831 0.90 CA1 (0.55) CA1CA2CA4TSHRATM
SCHEMBL36485 0.89 CA1 (0.67) CA1CA2CA4TSHRATM
SCHEMBL451236 0.89
SCHEMBL29742330 0.89 CA1 (0.67) CA1CA2CA4TSHRATM
SCHEMBL23573895 0.84
SCHEMBL20919779 0.84 CA1 (0.60) CA1CA2CA4TSHRATM
Water SCHEMBL21082889 0.84
SCHEMBL20508254 0.84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012104204-A1 IRON-CARBOHYDRATE COMPLEX COMPOUNDS FOR THE INTRAVENOUS THERAPY OF MALARIA VIFOR (INTERNATIONAL) AG (CH) 2012-08-09 WO disclosed
US-20030203887-A1 Methods for in vivo reduction of free radical levels and compostions useful therefor MCW RESEARCH FOUNDATION, INC., 2003-10-30 US disclosed
US-20030203887-A1 Methods for in vivo reduction of free radical levels and compostions useful therefor MCW RESEARCH FOUNDATION, INC., 2003-10-30 US disclosed
US-20030040511-A1 Methods for in vivo reduction of free radical levels and compositions useful therefor MCW RESEARCH FOUNDATION, INC. 2003-02-27 US disclosed
US-20030040511-A1 Methods for in vivo reduction of free radical levels and compositions useful therefor MCW RESEARCH FOUNDATION, INC. 2003-02-27 US disclosed
US-6469057-B1 TREATMENTS FOR EXCESS FREE RADICAL PRODUCTION BY USE OF DITHIOCARBAMATES AS SCAVENGERS; COMPLEXES FORMED ARE EXCRETED INTO URINE MCW RESEARCH FOUNDATION, INC. 2002-10-22 US disclosed
US-6469057-B1 TREATMENTS FOR EXCESS FREE RADICAL PRODUCTION BY USE OF DITHIOCARBAMATES AS SCAVENGERS; COMPLEXES FORMED ARE EXCRETED INTO URINE MCW RESEARCH FOUNDATION, INC. 2002-10-22 US disclosed
WO-2002026225-A1 METHODS FOR IN VIVO REDUCTION OF FREE RADICAL LEVELS AND COMPOSITIONS USEFUL THEREFOR MCW RESEARCH FOUNDATION, INC. (US) 2002-04-04 WO disclosed
WO-2002026225-A1 METHODS FOR IN VIVO REDUCTION OF FREE RADICAL LEVELS AND COMPOSITIONS USEFUL THEREFOR MCW RESEARCH FOUNDATION, INC. (US) 2002-04-04 WO disclosed
CN-1075816-C Methods for in vivo reduction of nitric oxide levels and compositions useful therefor MCW RES FOUND INC (US) 2001-12-05 CN disclosed
EP-0866695-A1 COMBINATIONAL THERAPEUTIC METHODS EMPLOYING NITRIC OXIDE SCAVENGERS Medinox, Inc. (US) 1998-09-30 EP disclosed
EP-0850240-A1 METHODS FOR IN VIVO REDUCTION OF NITRIC OXIDE LEVELS AND COMPOSITIONS USEFUL THEREFOR MCW Research Foundation, Inc. (US) 1998-07-01 EP disclosed
US-5756540-A ADMINISTERING A DITHIOCARBAMATE-CONTAINING SCAVENGER MCW RESEARCH FOUNDATION, INC. (US) 1998-05-26 US disclosed
US-5756540-A ADMINISTERING A DITHIOCARBAMATE-CONTAINING SCAVENGER MCW RESEARCH FOUNDATION, INC. (US) 1998-05-26 US disclosed
US-5747532-A Combinational therapeutic methods employing nitric oxide scavengers and compositions useful therefor MEDINOX, INC. (US) 1998-05-05 US disclosed
US-5741815-A TREATING INFLAMMATORY AND INFECTIOUS DISEASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 1998-04-21 US disclosed
US-5741815-A TREATING INFLAMMATORY AND INFECTIOUS DISEASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 1998-04-21 US disclosed
WO-1997032585-A1 COMBINATIONAL THERAPEUTIC METHODS EMPLOYING NITRIC OXIDE SCAVENGERS AND COMPOSITIONS USEFUL THEREFOR MEDINOX, INC. (US) 1997-09-12 WO disclosed
WO-1997018805-A1 COMBINATIONAL THERAPEUTIC METHODS EMPLOYING NITRIC OXIDE SCAVENGERS MEDINOX, INC. (US) 1997-05-29 WO disclosed
WO-1996038457-A1 METHODS FOR IN VIVO REDUCTION OF NITRIC OXIDE LEVELS AND COMPOSITIONS USEFUL THEREFOR MCW RESEARCH FOUNDATION, INC. (US) 1996-12-05 WO disclosed