SCHEMBL8796833

SCHEMBL8796833

O=S(=O)(Cc1cc(F)cc(F)c1)c1nccs1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.32
MAPK8 P45983 1/20 0.31
SLC40A1 Q9NP59 1/20 0.31
NLRP3 Q96P20 1/20 0.31
CTSL P07711 1/20 0.31
CTSB P07858 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
LOXL2 Q9Y4K0 1/20 0.30
PDPK1 O15530 1/20 0.30

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
SCHEMBL20679918 0.77 NAMPT (0.46) NAMPTSLC40A1LOXL2
SCHEMBL3511229 0.74 CYP2C19 (0.40) NAMPTSLC40A1NLRP3
SCHEMBL6182721 0.72 LOXL2 (0.40) NAMPTLOXL2
SCHEMBL20679889 0.72 CYP2A6 (0.41) MAPK8SLC40A1
SCHEMBL8797268 0.71 FBP1 (0.38) NAMPTSLC40A1NLRP3
SCHEMBL28240365 0.70 MRGPRX4 (0.44)
SCHEMBL28656315 0.68 MEN1 (0.32) SLC40A1
SCHEMBL30817869 0.67
SCHEMBL502516 0.66 ABCC9 (0.44) NAMPTSLC40A1NLRP3PDPK1
SCHEMBL3300930 0.66 IDO1 (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0772606-A1 SUBSTITUTED THIAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-05-14 EP disclosed
WO-1996003392-A1 SUBSTITUTED THIAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-02-08 WO disclosed