SCHEMBL3827375

SCHEMBL3827375

NC(=O)Oc1ccccc1-c1ccsc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMIGD3 P0DMS9 2/20 0.43
ADORA2A P29274 2/20 0.43
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
ADRA2A P08913 3/20 0.40
ADRA2B P18089 3/20 0.40
ADRA2C P18825 3/20 0.40
CYP2E1 P05181 1/20 0.40
CYP2A6 P11509 1/20 0.40
CYP2B6 P20813 1/20 0.40
PTPRC P08575 1/20 0.40
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
ALOX15 P16050 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CHEK2 O96017 2/20 0.38
IKBKB O14920 2/20 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
SCHEMBL3830484 0.82 TUBB4A (0.41) TMIGD3ADORA2AMAPTMEN1USP2
SCHEMBL3825362 0.82 BCL9 (0.41) TMIGD3ADORA2AMAPTMEN1USP2
SCHEMBL31448682 0.79 FABP3 (0.49) MEN1KMT2AALDH1A1FABP7FABP3
SCHEMBL274364 0.79 FABP3 (0.53) ALDH1A1FABP7FABP3FABP5
SCHEMBL3823848 0.79 CYP2A6 (0.44) TMIGD3ADORA2ACYP2A6MAPTMEN1
SCHEMBL3830673 0.79 CNR1 (0.41) TMIGD3ADORA2AMAPTMEN1USP2
SCHEMBL29728528 0.78 KMT2A (0.46) MAPTMEN1KMT2AHSD17B10ALDH1A1
SCHEMBL3829394 0.77 TMIGD3 (0.38) TMIGD3ADORA2AMAPTMEN1KMT2A
SCHEMBL27615613 0.77 CDC7 (0.45) ADRA2AADRA2BADRA2CMAPTHSD17B10
SCHEMBL3830850 0.76 TMIGD3 (0.38) TMIGD3ADORA2APTPRCMAPTMEN1

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