SCHEMBL24899889

SCHEMBL24899889

CC(C)S(=N)(=O)c1ccc(I)cn1

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA13 Q8N1Q1 1/20 0.32
CA14 Q9ULX7 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
EDNRA P25101 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
SCHEMBL24899890 0.81 POLB (0.44) CA12CA1CA2CA4CA6
SCHEMBL3581469 0.75 PIK3CD (0.39) CA12CA1CA2CA4CA6
SCHEMBL2345590 0.72 PSIP1 (0.34) CA12CA1CA2CA4CA6
SCHEMBL713957 0.71 CA12 (0.36) CA12CA1CA2CA4CA6
SCHEMBL3640748 0.71 TET2 (0.40) CA12CA1CA2CA4CA6
SCHEMBL24899768 0.71 CA1 (0.44) CA12CA1CA2CA9
SCHEMBL24899755 0.68 SMN1; SMN2 (0.37) LMNA
SCHEMBL23057069 0.67 CA12 (0.33) CA12CA1CA2CA4CA6
SCHEMBL3158170 0.63 HTR2A (0.62) CA12CA1CA2CA9
SCHEMBL3606195 0.63 POLB (0.44) CA12CA1CA2CA4CA6

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-2023284869-A1 SULFUR/PHOSPHORUS-CONTAINING ARYL COMPOUND AND APPLICATION THEREOF 南京明德新药研发有限公司 2023-01-19 WO disclosed