SCHEMBL1055044

SCHEMBL1055044

NCC(CNS(=O)(=O)O)c1ccc(Cl)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 6/20 0.64
GABBR1 Q9UBS5 6/20 0.64
LMNA P02545 3/20 0.53
CYP1A2 P05177 3/20 0.53
CYP2C9 P11712 2/20 0.53
THRB P10828 2/20 0.53
CYP3A4 P08684 2/20 0.53
TSHR P16473 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
ADORA3 P0DMS8 1/20 0.53
NFKB1 P19838 1/20 0.53
DRD3 P35462 1/20 0.53
BLM P54132 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C19 P33261 1/20 0.53
MAPT P10636 2/20 0.51
PMP22 Q01453 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51

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
SCHEMBL339758 0.78 GABBR2 (1.00) GABBR2GABBR1LMNACYP1A2CYP2C9
SCHEMBL28968674 0.78 GABBR2 (1.00) GABBR2GABBR1LMNACYP1A2CYP2C9
SCHEMBL339757 0.78 GABBR2 (1.00) GABBR2GABBR1LMNACYP1A2CYP2C9
SCHEMBL10507284 0.74 GABBR2 (0.64) GABBR2GABBR1LMNACYP1A2CYP2C9
SCHEMBL11083248 0.74 GABBR2 (0.51) GABBR2GABBR1LMNACYP1A2CYP2C9
Hydrochloric Acid SCHEMBL10681987 0.72 GABBR2 (0.62) GABBR2GABBR1LMNACYP1A2CYP2C9
SCHEMBL7396004 0.71 GABBR2 (0.61) GABBR2GABBR1LMNACYP1A2CYP2C9
SCHEMBL9779274 0.71 GABBR2 (0.61) GABBR2GABBR1LMNACYP1A2CYP2C9
SCHEMBL27792875 0.70 GABBR2 (0.59) GABBR2GABBR1LMNACYP1A2CYP2C9
Baclofen SCHEMBL19334 0.69 GABBR2 (1.00) GABBR2GABBR1LMNACYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2593104-A2 METHODS OF TREATING AND PREVENTING/REDUCING THE LIKELIHOOD OF MESIAL TEMPORAL LOBE EPILEPSY (TLE) Müller, Prof. Dr., Wolfgang (DE) 2013-05-22 EP claimed
WO-2011011692-A2 METHODS OF TREATING AND PREVENTING/REDUCING THE LIKELIHOOD OF MESIAL TEMPORAL LOBE EPILEPSY (TLE) STC.UNM (US) 2011-01-27 WO claimed
WO-2006050471-A2 ACYLOXYALKYL CARBAMATE PRODRUGS OF SULFINIC ACIDS, METHODS OF SYNTHESIS, AND USE XENOPORT, INC. (US) 2006-05-11 WO claimed
WO-2005037215-A2 COMPOSITIONS AND METHODS FOR ENHANCING COGNITIVE FUNCTION AND SYNAPTIC PLASTICITY MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2005-04-28 WO claimed
WO-2008157408-A2 USE OF PRODRUGS OF GABA ANALOGS, ANTISPASTICITY AGENTS, AND PRODRUGS OF GABA B RECEPTOR AGONISTS FOR TREATING SPASTICITY XENOPORT, INC. (US) 2008-12-24 WO disclosed
WO-2006128070-A2 PHARMACEUTICAL DOSAGE FORMS HAVING IMMEDIATE RELEASE AND/OR CONTROLLED RELEASE PROPERTIES THAT CONTAIN A GABAB RECEPTOR AGONIST IMPAX LABORATORIES, INC. (US) 2006-11-30 WO disclosed
EP-1696959-A2 MELATONIN COMBINATION THERAPY FOR IMPROVING SLEEP QUALITY Sepracor, Inc. (US) 2006-09-06 EP disclosed
WO-2005063297-A2 MELATONIN COMBINATION THERAPY FOR IMPROVING SLEEP QUALITY SEPRACOR INC. (US) 2005-07-14 WO disclosed