SCHEMBL3838249

SCHEMBL3838249

COc1ccc(OC)c(S(=O)(=O)N(Cc2ccc(C)cc2)C2CCN(C#N)C2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.55
CTSS P25774 2/20 0.55
CTSK P43235 2/20 0.55
CTSC P53634 2/20 0.55
CTSB P07858 1/20 0.55
TSHR P16473 2/20 0.45
MCOLN3 Q8TDD5 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
F10 P00742 5/20 0.43
PRSS1 P07477 3/20 0.43
PRSS2 P07478 3/20 0.43
PRSS3 P35030 3/20 0.43
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 1/20 0.42
ALDH1A1 P00352 2/20 0.41
USP2 O75604 1/20 0.41
ATM Q13315 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HIF1A Q16665 2/20 0.40

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
SCHEMBL3808433 1.00 CTSL (0.55) CTSLCTSSCTSKCTSCCTSB
SCHEMBL3806619 0.93 CTSL (0.57) CTSLCTSSCTSKCTSCCTSB
SCHEMBL3811496 0.92 CTSL (0.54) CTSLCTSSCTSKCTSCCTSB
SCHEMBL3810290 0.92 CTSL (0.54) CTSLCTSSCTSKCTSCCTSB
SCHEMBL3811083 0.92 CTSL (0.56) CTSLCTSSCTSKCTSCCTSB
SCHEMBL3810701 0.91 CTSL (0.53) CTSLCTSSCTSKCTSCCTSB
SCHEMBL3810713 0.90 CTSL (0.52) CTSLCTSSCTSKCTSCCTSB
SCHEMBL3815645 0.90 TSHR (0.44) CTSLCTSSCTSKCTSCCTSB
SCHEMBL3815030 0.90 TSHR (0.44) CTSLCTSSCTSKCTSCCTSB
SCHEMBL3811475 0.89 CTSL (0.55) CTSLCTSSCTSKCTSCCTSB

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-2009129365-A1 CATHEPSIN C INHIBITORS GLAXO GROUP LIMITED (GB) 2009-10-22 WO claimed