SCHEMBL3830673

SCHEMBL3830673

NC(=O)Oc1ccc(Cl)cc1-c1ccsc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.41
PTGDR2 Q9Y5Y4 2/20 0.40
TMIGD3 P0DMS9 2/20 0.39
ADORA2A P29274 2/20 0.39
SCN9A Q15858 1/20 0.39
CHEK2 O96017 3/20 0.38
MAPT P10636 3/20 0.38
IKBKB O14920 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HDAC6 Q9UBN7 1/20 0.38
SLC6A9 P48067 1/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL4055219 0.86 TMIGD3 (0.53) CNR1PTGDR2TMIGD3ADORA2AMAPT
SCHEMBL3825362 0.83 BCL9 (0.41) TMIGD3ADORA2ASCN9ACHEK2MAPT
SCHEMBL3823848 0.83 CYP2A6 (0.44) PTGDR2TMIGD3ADORA2ASCN9ACHEK2
SCHEMBL20573326 0.80 PTGDR2 (0.44) PTGDR2MAPTALDH1A1KMT2AKDM4E
SCHEMBL3827375 0.79 TMIGD3 (0.43) TMIGD3ADORA2ASCN9ACHEK2MAPT
SCHEMBL20573401 0.79 PTGDR2 (0.61) PTGDR2ALDH1A1SLC6A9KDM4E
SCHEMBL20573423 0.78 PDE4D (0.51) PTGDR2IKBKBSLC6A9KMT2AMEN1
SCHEMBL3830484 0.74 TUBB4A (0.41) TMIGD3ADORA2ACHEK2MAPTIKBKB
SCHEMBL17796952 0.74 CASP1 (0.43) PTGDR2SCN9APPARGPPARA
SCHEMBL20573238 0.73 PTGDR2 (0.45) CNR1PTGDR2SCN9AALDH1A1KMT2A

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 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