SCHEMBL5897520

SCHEMBL5897520

O=S(=O)(O)c1cccc(N=C=S)c1N=C=S

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
POLB P06746 2/20 0.49
RAD1 O60671 1/20 0.43
P2RY6 Q15077 1/20 0.43
CYP1A2 P05177 3/20 0.41
HSD17B10 Q99714 2/20 0.41
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
ABCB11 O95342 1/20 0.41
NR3C1 P04150 1/20 0.41
CYP3A4 P08684 1/20 0.41
ADRA2A P08913 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
ADRA2C P18825 1/20 0.41
MAOA P21397 1/20 0.41
DRD1 P21728 1/20 0.41
SLC6A4 P31645 1/20 0.41
HTR2B P41595 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
SCHEMBL6114392 0.84 ALDH1A1 (0.50) ALDH1A1POLBRAD1P2RY6CYP1A2
SCHEMBL1508924 0.84 ALDH1A1 (0.62) ALDH1A1POLBRAD1P2RY6CYP1A2
SCHEMBL29655855 0.84 ALDH1A1 (0.62) ALDH1A1POLBRAD1P2RY6CYP1A2
SCHEMBL7645545 0.82 ALDH1A1 (0.60) ALDH1A1POLBRAD1P2RY6CYP1A2
SCHEMBL28378340 0.81 ALDH1A1 (0.47) ALDH1A1POLBRAD1P2RY6CYP1A2
SCHEMBL9358944 0.80 RAD1 (0.55) ALDH1A1POLBRAD1P2RY6CYP1A2
SCHEMBL330963 0.77 ALDH1A1 (0.56) ALDH1A1POLBP2RY6CYP1A2HSD17B10
Sulfuric Acid SCHEMBL8443293 0.75 ALDH1A1 (0.55) ALDH1A1POLBRAD1P2RY6CYP1A2
SCHEMBL2834143 0.73 RAD1 (0.51) ALDH1A1POLBRAD1P2RY6CYP1A2
SCHEMBL344713 0.73 RAD1 (0.51) ALDH1A1POLBRAD1P2RY6CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7144989-B2 Pegylated non-hypertensive hemoglobins, methods of preparing same, and uses thereof ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2006-12-05 US disclosed
US-7101846-B2 Methods and compositions for optimization of oxygen transport by cell-free systems THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-09-05 US disclosed
US-20050239686-A1 Methods and compositions for optimization of oxygen transport by cell-free systems WINSLOW ROBERT M 2005-10-27 US disclosed
EP-1011710-B1 METHODS AND COMPOSITIONS FOR OPTIMIZATION OF OXYGEN TRANSPORT BY CELL-FREE SYSTEMS UNIV CALIFORNIA (US) 2005-08-17 EP disclosed
US-20050159339-A1 Pegylated non-hypertensive hemoglobins, methods of preparing same, and uses thereof ALBERT EINSTEIN COLLEGE OF MEDICINE, INC. 2005-07-21 US disclosed
US-20050009736-A1 Methods and compositions for optimization of oxygen transport by cell-free systems NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-01-13 US disclosed
EP-0826064-B1 LOW OXYGEN AFFINITY MUTANT HEMOGLOBIN UNIV CARNEGIE MELLON (US) 2004-11-24 EP disclosed
EP-1011710-A4 METHODS AND COMPOSITIONS FOR OPTIMIZATION OF OXYGEN TRANSPORT BY CELL-FREE SYSTEMS UNIV CALIFORNIA (US) 2004-03-31 EP disclosed
US-20030083233-A1 Methods and compositions for optimization of oxygen transport by cell-free systems NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-05-01 US disclosed
US-6432918-B1 SYNTHETIC BLOOD; SUPPLYING OXYGEN THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2002-08-13 US disclosed
EP-1011710-A1 METHODS AND COMPOSITIONS FOR OPTIMIZATION OF OXYGEN TRANSPORT BY CELL-FREE SYSTEMS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2000-06-28 EP disclosed
US-6054427-A POLYTHYLENE GLYCOL-MODIFIED HEMOGLOBIN PRESENT IN A CONCENTRATION OF BETWEEN 0.1 AND 4.0 G/DL; SOLUTION HAVING A VISCOSITY AT LEAST HALF THAT OF BLOOD AND AN ONCOTIC PRESSURE HIGHER THAN THAT OF PLASMA. THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2000-04-25 US disclosed
WO-1998037909-A9 METHODS AND COMPOSITIONS FOR OPTIMIZATION OF OXYGEN TRANSPORT BY CELL-FREE SYSTEMS UNIV CALIFORNIA (US) 1999-11-18 WO disclosed
US-5843888-A Low oxygen affinity mutant hemoglobin CARNEGIE MELLON UNIVERSITY (US) 1998-12-01 US disclosed
EP-0826064-A4 LOW OXYGEN AFFINITY MUTANT HEMOGLOBIN UNIV CARNEGIE MELLON (US) 1998-11-18 EP disclosed
WO-1998037909-A1 METHODS AND COMPOSITIONS FOR OPTIMIZATION OF OXYGEN TRANSPORT BY CELL-FREE SYSTEMS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1998-09-03 WO disclosed
EP-0826064-A1 LOW OXYGEN AFFINITY MUTANT HEMOGLOBIN CARNEGIE-MELLON UNIVERSITY (US) 1998-03-04 EP disclosed
WO-1997033914-A1 METHODS FOR PRODUCING HEMOGLOBIN PREPARATIONS AND PREPARATIONS OBTAINABLE THEREBY STAAT DER NEDERLANDEN, DE MINISTER VAN DEFENSIE (NL) 1997-09-18 WO disclosed
WO-1996034974-A1 LOW OXYGEN AFFINITY MUTANT HEMOGLOBIN CARNEGIE MELLON UNIVERSITY (US) 1996-11-07 WO disclosed