SCHEMBL3834753

SCHEMBL3834753

COc1ccc(OC)c(S(=O)(=O)N(Cc2ccc(F)cc2F)C2CCN(C#N)C2)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.52
CTSS P25774 2/20 0.52
CTSK P43235 2/20 0.52
CTSC P53634 2/20 0.52
CTSB P07858 1/20 0.52
RORC P51449 7/20 0.49
HTR2A P28223 2/20 0.42
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CCR3 P51677 2/20 0.40
CCR5 P51681 1/20 0.40
KDM4E B2RXH2 1/20 0.39
USP30 Q70CQ3 3/20 0.38

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
SCHEMBL3810189 1.00 CTSL (0.52) CTSLCTSSCTSKCTSCCTSB
SCHEMBL3806486 0.95 CTSL (0.53) CTSLCTSSCTSKCTSCCTSB
SCHEMBL3810449 0.91 RORC (0.46) CTSLCTSSCTSKCTSCCTSB
SCHEMBL3811448 0.91 RORC (0.46) CTSLCTSSCTSKCTSCCTSB
SCHEMBL3811496 0.89 CTSL (0.54) CTSLCTSSCTSKCTSCCTSB
SCHEMBL3810727 0.87 CTSL (0.51) CTSLCTSSCTSKCTSCCTSB
SCHEMBL3808181 0.86 CTSL (0.52) CTSLCTSSCTSKCTSCCTSB
SCHEMBL3811330 0.86 CTSL (0.42) CTSLCTSSCTSKCTSCCTSB
SCHEMBL3810367 0.86 CTSL (0.53) CTSLCTSSCTSKCTSCCTSB
SCHEMBL3815681 0.86 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