SCHEMBL5729609

SCHEMBL5729609

O=NNC(CCS)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 7/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
ALOX15 P16050 1/20 0.39
NFKB1 P19838 1/20 0.39
PTGS2 P35354 1/20 0.39
THPO P40225 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ACE P12821 2/20 0.35
ENPEP Q07075 2/20 0.34
ANPEP P15144 1/20 0.34
RIMKLA Q8IXN7 1/20 0.34
NAALAD2 Q9Y3Q0 1/20 0.34
TGFBR1 P36897 1/20 0.33
PTGS1 P23219 1/20 0.31
SLC7A11 Q9UPY5 1/20 0.31
MME P08473 1/20 0.31

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
SCHEMBL218863 1.00 FOLH1 (0.39) FOLH1KDM4EMAPTTHRBALOX15
SCHEMBL1775718 0.84
SCHEMBL57052 0.84
SCHEMBL1830619 0.84
SCHEMBL3263169 0.82
SCHEMBL9486335 0.80 FOLH1 (0.38) FOLH1KDM4EMAPTTHRBALOX15
SCHEMBL31510814 0.80 ACE (0.42) FOLH1KDM4EMAPTTHRBALOX15
SCHEMBL9633039 0.80 FOLH1 (0.38) FOLH1KDM4EMAPTTHRBALOX15
SCHEMBL4543595 0.80 KDM4E (0.47) FOLH1KDM4EMAPTTHRBALOX15
SCHEMBL5372700 0.80 KDM4E (0.47) FOLH1KDM4EMAPTTHRBALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006084322-A1 TREATMENT METHOD FOR MODIFYING TISSUE PASSIVE ELECTRICAL CONDUCTANCE MCLACHLAN CRAIG STEVEN (AU) 2006-08-17 WO claimed
EP-1109543-A4 NITROSATED AND NITROSYLATED PHOSPHODIESTERASE INHIBITORS, COMPOSITIONS AND METHODS OF USE NITROMED INC (US) 2006-03-08 EP claimed
EP-1154771-A4 NITROSATED AND NITROSYLATED PROTON PUMP INHIBITORS, COMPOSITIONS AND METHODS OF USE NITROMED INC (US) 2005-04-20 EP claimed
JP-2002537336-A 2002-11-05 JP claimed
EP-1154771-A1 NITROSATED AND NITROSYLATED PROTON PUMP INHIBITORS, COMPOSITIONS AND METHODS OF USE Nitromed, Inc. (US) 2001-11-21 EP claimed
EP-1109543-A1 NITROSATED AND NITROSYLATED PHOSPHODIESTERASE INHIBITORS, COMPOSITIONS AND METHODS OF USE Nitromed, Inc. (US) 2001-06-27 EP claimed
WO-2000067754-A1 NITROSATED AND NITROSYLATED POTASSIUM CHANNEL ACTIVATORS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2000-11-16 WO claimed
WO-2000051978-A1 NITROSATED AND NITROSYLATED PROSTAGLANDINS, COMPOSITIONS AND METODS OF USE NITROMED, INC. (US) 2000-09-08 WO claimed
WO-2000050037-A1 NITROSATED AND NITROSYLATED PROTON PUMP INHIBITORS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2000-08-31 WO claimed
WO-2000012076-A9 NITROSATED AND NITROSYLATED PHOSPHODIESTERASE INHIBITORS, COMPOSITIONS AND METHODS OF USE NITROMED INC (US) 2000-08-17 WO claimed
WO-2000012076-A1 NITROSATED AND NITROSYLATED PHOSPHODIESTERASE INHIBITORS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2000-03-09 WO claimed
WO-1997018000-A1 S-NITROSO-HEMOGLOBIN AND THERAPEUTIC USES THEREOF BRIGHAM AND WOMEN'S HOSPITAL (US) 1997-05-22 WO claimed
US-5626738-A Methods for the separation and detection of nitrosothiols AMERICAN HEALTH FOUNDATION (US) 1997-05-06 US claimed
WO-2006084322-A1 TREATMENT METHOD FOR MODIFYING TISSUE PASSIVE ELECTRICAL CONDUCTANCE MCLACHLAN CRAIG STEVEN (AU) 2006-08-17 WO disclosed
WO-2006076225-A2 METHODS AND SYSTEMS FOR IDENTIFYING AND MONITORING S-NITROSOTHIOLS IN BIOLOGICAL SAMPLES WHALEN ERIN J (US) 2006-07-20 WO disclosed
EP-1015490-A1 NO-MODIFIED HEMOGLOBINS AND USES THEREFOR DUKE UNIVERSITY MEDICAL CENTER (US) 2000-07-05 EP disclosed
EP-0582631-A1 S-NITROSOTHIOLS AS SMOOTH MUSCLE RELAXANTS AND THERAPEUTIC USES THEREOF BRIGHAM AND WOMEN'S HOSPITAL (US) 1994-02-16 EP disclosed
WO-1993012068-A1 S-NITROSOTHIOLS AS SMOOTH MUSCLE RELAXANTS AND THERAPEUTIC USES THEREOF BRIGHAM AND WOMEN'S HOSPITAL (US) 1993-06-24 WO disclosed
WO-1992018002-A1 NITROSATION OF HOMOCYSTEINE AS A METHOD FOR TREATING HOMOCYSTEINEMIA BRIGHAM AND WOMEN'S HOSPITAL (US) 1992-10-29 WO disclosed
WO-1992017445-A2 S-NITROSOTHIOLS AS SMOOTH MUSCLE RELAXANTS AND THERAPEUTIC USES THEREOF BRIGHAM AND WOMEN'S HOSPITAL (US) 1992-10-15 WO disclosed