SCHEMBL28280545

SCHEMBL28280545

CS(=O)(=O)c1ccc(-c2cnc(C3CCNCC3)s2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLAT P00750 1/20 0.46
TLR9 Q9NR96 1/20 0.45
TLR8 Q9NR97 1/20 0.45
TLR7 Q9NYK1 1/20 0.45
MAP4K3 Q8IVH8 3/20 0.44
FAAH O00519 1/20 0.43
CHRNB2 P17787 1/20 0.42
CHRNA4 P43681 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.41
CHEK1 O14757 2/20 0.40
PTGS2 P35354 2/20 0.40
JAK3 P52333 1/20 0.39
PTK2 Q05397 1/20 0.39
QPCT Q16769 2/20 0.38
KDM1A O60341 1/20 0.37
KIT P10721 1/20 0.37
CDK2AP1 O14519 1/20 0.37
PTGS1 P23219 1/20 0.37

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
SCHEMBL17151793 0.80 MAP4K3 (0.48) TLR9TLR8TLR7MAP4K3CHRNB2
SCHEMBL15034717 0.80 XDH (0.49) TLR9TLR8TLR7MAP4K3CHRNB2
SCHEMBL4677044 0.79 CHRNB2 (0.53) TLR9TLR8TLR7MAP4K3CHRNB2
SCHEMBL27742532 0.79 CHRNB2 (0.50) TLR9TLR8TLR7MAP4K3CHRNB2
Hydrochloric Acid SCHEMBL161578 0.79 XDH (0.48) TLR9TLR8TLR7MAP4K3CHRNB2
SCHEMBL19449844 0.73 MEN1 (0.46) PLATFAAHPTGS2JAK3PTK2
Hydrochloric Acid SCHEMBL19434969 0.72 MEN1 (0.45) PLATFAAHPTGS2JAK3PTK2
Hydrochloric Acid SCHEMBL29504599 0.72 MEN1 (0.45) PLATFAAHPTGS2JAK3PTK2
SCHEMBL5763608 0.71 LOXL2 (0.40) PLATFAAHLOXL2PTGS2KDM1A
SCHEMBL4170969 0.71 SLC18A3 (0.52) PLATPTGS2JAK3PTK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109415381-A Thiazolopyridine derivatives as GPR119 agonist 人类制药有限公司 2019-03-01 CN disclosed