SCHEMBL3846891

SCHEMBL3846891

O=C(O)Nc1cc(Cl)ccc1-c1ccsc1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IDH2 P48735 15/20 0.51
GRIK1 P39086 1/20 0.49
CNR1 P21554 1/20 0.45
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
FABP4 P15090 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL3830640 0.88 CNR1 (0.48) IDH2GRIK1CNR1PPARGPPARA
SCHEMBL3825279 0.84 IDH2 (0.56) IDH2
SCHEMBL3827067 0.82 IDH2 (0.52) IDH2
SCHEMBL28292961 0.80 MAPT (0.60) IDH2FABP4POLB
SCHEMBL5099112 0.80 FABP4 (0.62) IDH2GRIK1FABP4
SCHEMBL3825545 0.79 IDH2 (0.53) IDH2
SCHEMBL3831632 0.78 HCRTR1 (0.49) IDH2
SCHEMBL16098694 0.76 ITGB3 (0.48) IDH2
SCHEMBL16098691 0.76 ITGB3 (0.48) IDH2
SCHEMBL3831610 0.75 P2RY14 (0.46) IDH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1765339-A4 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2009-09-02 EP disclosed
EP-1765339-A2 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2007-03-28 EP disclosed
WO-2006005057-A2 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2006-01-12 WO disclosed