SCHEMBL3830640

SCHEMBL3830640

O=C(O)Nc1ccc(Cl)cc1-c1ccsc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.48
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
GRIK1 P39086 1/20 0.46
POLB P06746 1/20 0.46
IDH2 P48735 5/20 0.43
FABP4 P15090 4/20 0.43
FABP5 Q01469 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PTPRF P10586 1/20 0.40
PTPN1 P18031 1/20 0.40
TOP2A P11388 1/20 0.39
GPR35 Q9HC97 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
F10 P00742 1/20 0.38

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
SCHEMBL3846891 0.88 IDH2 (0.51) CNR1PPARGPPARAGRIK1POLB
SCHEMBL3831610 0.84 P2RY14 (0.46) IDH2KDM4EPTPRFPTPN1TOP2A
SCHEMBL3844021 0.82 IDH2 (0.44) IDH2PTPRFPTPN1TOP2AGPR35
SCHEMBL17796921 0.80 FABP4 (0.48) CNR1FABP4FABP5KDM4EHSD17B10
SCHEMBL17796963 0.80 FABP4 (0.62) CNR1GRIK1FABP4FABP5KDM4E
SCHEMBL3831632 0.78 HCRTR1 (0.49) IDH2
SCHEMBL16438643 0.77 FABP4 (0.52) CNR1FABP4FABP5KDM4EHSD17B10
SCHEMBL17796974 0.76 FABP4 (0.51) GRIK1FABP4FABP5KDM4EHSD17B10
SCHEMBL17797031 0.76 FABP4 (0.64) CNR1GRIK1FABP4FABP5KDM4E
SCHEMBL3825279 0.75 IDH2 (0.56) IDH2GPR35

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 6 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 claimed
EP-1765339-A2 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2007-03-28 EP claimed
WO-2006005057-A2 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2006-01-12 WO claimed
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