SCHEMBL13499574

SCHEMBL13499574

COc1cccc(F)c1/C=C1\SC(=S)NC1=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAT1 P18440 2/20 0.64
PDE4B Q07343 3/20 0.64
PDE3A Q14432 1/20 0.56
PTP4A3 O75365 1/20 0.56
CA2 P00918 1/20 0.54
DYRK1A Q13627 2/20 0.53
CSNK2A2 P19784 1/20 0.53
CLK1 P49759 1/20 0.53
CSNK2B P67870 1/20 0.53
CSNK2A1 P68400 1/20 0.53
DYRK1B Q9Y463 1/20 0.53
CISD1 Q9NZ45 3/20 0.53
PIM1 P11309 2/20 0.53
MAOB P27338 2/20 0.53
MAOA P21397 1/20 0.53
CDC7 O00311 1/20 0.53
PLK4 O00444 1/20 0.53
DAPK3 O43293 1/20 0.53
DYRK3 O43781 1/20 0.53
PRKD3 O94806 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
SCHEMBL13499563 0.91 NAT1 (0.72) NAT1PDE4BPDE3ACA2DYRK1A
SCHEMBL13499576 0.86 PTP4A3 (0.72) NAT1PTP4A3CA2CISD1PIM1
SCHEMBL18102948 0.85 NAT1 (0.64) NAT1PDE4BPDE3ACA2DYRK1A
SCHEMBL13499562 0.82 NAT1 (0.76) NAT1PDE4BPDE3ACA2DYRK1A
SCHEMBL11729151 0.81 NAT1 (0.60) NAT1PDE4BPDE3APTP4A3CA2
SCHEMBL11729145 0.81 NAT1 (0.60) NAT1PDE4BPDE3APTP4A3CA2
SCHEMBL14660903 0.80 PIM1 (0.62) NAT1PTP4A3CA2CISD1PIM1
SCHEMBL13846835 0.80 PIM1 (0.62) NAT1PTP4A3CA2CISD1PIM1
SCHEMBL18102933 0.80 NAT1 (0.62) NAT1PTP4A3CA2CISD1PIM1
SCHEMBL4801327 0.80 PDE4B (0.75) NAT1PDE4BCA2DYRK1ACSNK2A2

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