SCHEMBL29975856

SCHEMBL29975856

COc1ccc(/C=C2/SC(=S)NC2=O)c(F)c1Br

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAT1 P18440 2/20 0.63
CA2 P00918 1/20 0.62
PDE4B Q07343 8/20 0.59
PDE3A Q14432 5/20 0.58
CISD1 Q9NZ45 3/20 0.56
MAOB P27338 2/20 0.56
DYRK1A Q13627 3/20 0.52
CSNK2A2 P19784 1/20 0.52
CLK1 P49759 1/20 0.52
CSNK2B P67870 1/20 0.52
CSNK2A1 P68400 1/20 0.52
DYRK1B Q9Y463 1/20 0.52
MAOA P21397 1/20 0.52
CDC7 O00311 1/20 0.52
PLK4 O00444 1/20 0.52
DAPK3 O43293 1/20 0.52
DYRK3 O43781 1/20 0.52
PRKD3 O94806 1/20 0.52
MAP4K4 O95819 1/20 0.52
PRKCG P05129 1/20 0.52

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
SCHEMBL27191512 1.00 NAT1 (0.63) NAT1CA2PDE4BPDE3ACISD1
SCHEMBL25692662 1.00 NAT1 (0.63) NAT1CA2PDE4BPDE3ACISD1
SCHEMBL26931547 0.88 PDE4B (0.70) NAT1CA2PDE4BPDE3ACISD1
SCHEMBL26931541 0.88 PDE4B (0.70) NAT1CA2PDE4BPDE3ACISD1
SCHEMBL13499562 0.84 NAT1 (0.76) NAT1CA2PDE4BPDE3ACISD1
SCHEMBL8191849 0.81 NAT1 (0.67) NAT1CA2PDE4BPDE3ACISD1
SCHEMBL8191853 0.81 NAT1 (0.67) NAT1CA2PDE4BPDE3ACISD1
SCHEMBL12892054 0.79 NAT1 (0.72) NAT1CA2PDE4BPDE3ACISD1
SCHEMBL8309671 0.78 NAT1 (1.00) NAT1CA2PDE4BPDE3ACISD1
SCHEMBL8309670 0.78 NAT1 (1.00) NAT1CA2PDE4BPDE3ACISD1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024032782-A1 VACCINE ADJUVANTS AND USES THEREOF JACOBIO PHARMACEUTICALS CO.LTD. (CN) 2024-02-15 WO disclosed
EP-4313962-A1 NOVEL COMPOUNDS USEFUL AS STING AGONISTS AND USES THEREOF Jacobio Pharmaceuticals Co., Ltd. (CN) 2024-02-07 EP disclosed
WO-2023109942-A1 COMPOUND-LINKER CONSTRUCTS COMPRISING NOVEL COMPOUNDS USEFUL AS STING AGONISTS AND USES THEREOF JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2023-06-22 WO disclosed
WO-2022206725-A1 NOVEL COMPOUNDS USEFUL AS STING AGONISTS AND USES THEREOF JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2022-10-06 WO disclosed