SCHEMBL13784248

SCHEMBL13784248

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.40
PKLR P30613 1/20 0.40
TSHR P16473 1/20 0.40
GFER P55789 1/20 0.40
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
HSD11B1 P28845 3/20 0.37
CTSL P07711 4/20 0.36
CTSS P25774 4/20 0.36
CTSK P43235 4/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
GRM4 Q14833 1/20 0.35

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
SCHEMBL4313186 1.00 PKM (0.40) PKMPKLRTSHRGFERPSEN1
SCHEMBL10272543 0.77 NPSR1 (0.52) PKMPKLRTSHRLMNAALDH1A1
SCHEMBL4309319 0.75 TSHR (0.47) PKMPKLRTSHRGFERPSEN1
SCHEMBL5098948 0.73 ALDH1A1 (0.40) PKMPKLRTSHRALDH1A1POLB
SCHEMBL4317996 0.72 TSHR (0.47) PKMPKLRTSHRGFERPSEN1
SCHEMBL13784249 0.71 CTSK (0.39) PKMPKLRTSHRGFERPSEN1
Hydrochloric Acid SCHEMBL4312468 0.71 TSHR (0.46) PKMPKLRTSHRGFERPSEN1
SCHEMBL25246410 0.70 CHRNB2 (0.48) PKMPKLRTSHRGFERPSEN1
SCHEMBL1847833 0.70 PKM (0.56) PKMPKLRTSHRLMNAALDH1A1
SCHEMBL5983334 0.69 PKM (0.35) 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