SCHEMBL13499562

SCHEMBL13499562

COc1cccc(/C=C2\SC(=S)NC2=O)c1F

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAT1 P18440 4/20 0.76
PDE4B Q07343 3/20 0.75
CA2 P00918 1/20 0.60
GSK3B P49841 1/20 0.60
CISD1 Q9NZ45 2/20 0.57
MAOB P27338 1/20 0.57
PDE3A Q14432 1/20 0.56
PIM1 P11309 2/20 0.55
MYC P01106 1/20 0.54
MAX P61244 1/20 0.54
CSNK2A2 P19784 1/20 0.53
CLK1 P49759 1/20 0.53
CSNK2B P67870 1/20 0.53
CSNK2A1 P68400 1/20 0.53
DYRK1A Q13627 1/20 0.53
DYRK1B Q9Y463 1/20 0.53

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
SCHEMBL8309671 0.87 NAT1 (1.00) NAT1PDE4BCA2GSK3BCISD1
SCHEMBL8309670 0.87 NAT1 (1.00) NAT1PDE4BCA2GSK3BCISD1
SCHEMBL8310322 0.86 PDE4B (1.00) NAT1PDE4BCA2GSK3BCISD1
SCHEMBL8310325 0.86 PDE4B (1.00) NAT1PDE4BCA2GSK3BCISD1
SCHEMBL8193222 0.85 NAT1 (0.76) NAT1PDE4BCA2GSK3BCISD1
SCHEMBL15347653 0.85 NAT1 (0.76) NAT1PDE4BCA2GSK3BCISD1
SCHEMBL8193225 0.85 NAT1 (0.76) NAT1PDE4BCA2GSK3BCISD1
SCHEMBL29975856 0.84 NAT1 (0.63) NAT1PDE4BCA2GSK3BCISD1
SCHEMBL26931541 0.84 PDE4B (0.70) NAT1PDE4BCA2GSK3BCISD1
SCHEMBL26931547 0.84 PDE4B (0.70) NAT1PDE4BCA2GSK3BCISD1

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
US-8431376-B2 Bacterial replication systems and methods THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2013-04-30 US disclosed
US-20100028862-A1 BACTERIAL REPLICATION SYSTEMS AND METHODS Replidyne,Inc. (US) 2010-02-04 US disclosed
WO-2006071255-A9 BACTERIAL REPLICATION SYSTEMS AND METHODS REPLIDYNE INC (US) 2007-02-15 WO disclosed