SCHEMBL24824445

SCHEMBL24824445

CS(=O)(=O)c1cnc(S)nc1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.36
PTGS2 P35354 5/20 0.33
LOXL2 Q9Y4K0 2/20 0.33
LOX P28300 1/20 0.33
S100A9 P06702 1/20 0.30
KDM4E B2RXH2 1/20 0.30
FYN P06241 1/20 0.30
MAP4K4 O95819 1/20 0.30
MINK1 Q8N4C8 1/20 0.30
TNIK Q9UKE5 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
SCHEMBL1641567 0.77 ENPP2 (0.37) ENPP2PTGS2LOXL2LOX
SCHEMBL13241045 0.75 ENPP2 (0.36) ENPP2PTGS2LOXL2LOX
SCHEMBL12614860 0.75 ENPP2 (0.46) ENPP2PTGS2LOXL2LOXS100A9
SCHEMBL27352424 0.75 PTGS2 (0.39) ENPP2PTGS2
SCHEMBL1641672 0.75 TP53 (0.42) ENPP2LOXL2LOXKDM4EFYN
SCHEMBL1641639 0.75 SMN1; SMN2 (0.37) ENPP2PTGS2S100A9
SCHEMBL3599742 0.75 ENPP2 (0.41) ENPP2PTGS2LOXL2LOXKDM4E
SCHEMBL24714798 0.71 MAPT (0.34) ENPP2PTGS2LOXL2LOXS100A9
SCHEMBL1688250 0.71 LRRK2 (0.41) ENPP2MAP4K4
SCHEMBL23314218 0.71 ALDH1A1 (0.33) ENPP2PTGS2LOXL2LOXMAP4K4

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
WO-2022272060-A1 EP2 ANTAGONIST COMPOUNDS RESERVOIR NEUROSCIENCE, INC. (US) 2022-12-29 WO disclosed