SCHEMBL13784249

SCHEMBL13784249

C[C@H]1CC(N)=C(O)CN(S(=O)(=O)c2ccccn2)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.39
CTSL P07711 6/20 0.39
CTSS P25774 4/20 0.39
PKM P14618 2/20 0.39
PKLR P30613 1/20 0.39
TSHR P16473 1/20 0.36
GFER P55789 1/20 0.36
HSD11B1 P28845 2/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
GRM4 Q14833 1/20 0.34
LMNA P02545 2/20 0.34
HTT P42858 1/20 0.34
NPC1 O15118 2/20 0.34
CYP3A4 P08684 1/20 0.33
HTR6 P50406 1/20 0.33

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
SCHEMBL4317996 0.72 TSHR (0.47) CTSKCTSLCTSSPKMPKLR
SCHEMBL10272543 0.72 NPSR1 (0.52) PKMPKLRTSHRLMNAHTT
Hydrochloric Acid SCHEMBL4312468 0.71 TSHR (0.46) CTSKCTSLCTSSPKMPKLR
SCHEMBL13784248 0.71 PKM (0.40) CTSKCTSLCTSSPKMPKLR
SCHEMBL4313186 0.71 PKM (0.40) CTSKCTSLCTSSPKMPKLR
SCHEMBL4309319 0.70 TSHR (0.47) CTSKCTSLCTSSPKMPKLR
SCHEMBL4322608 0.67 CTSL (0.39) CTSKCTSLPKMPKLRTSHR
SCHEMBL5105241 0.66 PKM (0.36) CTSKCTSLCTSSPKMPKLR
SCHEMBL24712032 0.66 PKM (0.50) PKMPKLRTSHRHSD11B1GRM4
SCHEMBL21005046 0.66 PKM (0.44) PKMPKLRPSEN1PSEN2APH1B

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
US-7563784-B2 Protease inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2009-07-21 US disclosed
US-7563784-B2 Protease inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2009-07-21 US disclosed