SCHEMBL1052288

SCHEMBL1052288

O=C(O)CC(C[AsH2])c1ccc(Cl)s1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 5/20 0.71
GABBR1 Q9UBS5 5/20 0.71
LMNA P02545 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP3A4 P08684 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
NFKB1 P19838 1/20 0.39
DRD3 P35462 1/20 0.39
BLM P54132 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
MEN1 O00255 1/20 0.39
THRB P10828 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39
DAO P14920 1/20 0.39
GSK3B P49841 1/20 0.36
F2 P00734 1/20 0.35
WRN Q14191 1/20 0.35

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
4-Amino-3- (5-Chlorothien-2-Yl)Butanoic Acid SCHEMBL342009 0.83 GABBR2 (1.00) GABBR2GABBR1LMNACYP2C9CYP3A4
SCHEMBL27697147 0.76 GABBR2 (0.66) GABBR2GABBR1LMNACYP2C9CYP3A4
SCHEMBL4034402 0.70 GABBR2 (0.69) GABBR2GABBR1LMNACYP2C9CYP3A4
SCHEMBL16680588 0.68 GABBR2 (0.51) GABBR2GABBR1LMNACYP3A4CYP2D6
SCHEMBL23972469 0.67 GABBR2 (0.50) GABBR2GABBR1LMNACYP3A4BLM
SCHEMBL8536948 0.67 GABBR2 (0.66) GABBR2GABBR1LMNACYP2C9CYP3A4
SCHEMBL15952208 0.67 GABBR2 (0.46) GABBR2GABBR1CYP3A4CYP2D6DAO
SCHEMBL20032385 0.66 GABBR2 (0.49) GABBR2GABBR1CYP3A4CYP2D6MEN1
SCHEMBL5212433 0.66 GABBR2 (0.53) GABBR2GABBR1CYP2C9CYP3A4DRD3
SCHEMBL4392686 0.66 GABBR2 (0.49) GABBR2GABBR1TSHRDAOGSK3B

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 2 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