SCHEMBL7485646

SCHEMBL7485646

Cc1nc(S(=O)(=O)N2CCCC(NC(=O)CCC(C)C)C(O)C2)n[nH]1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.33
LMNA P02545 3/20 0.32
ALDH1A1 P00352 2/20 0.32
GAA P10253 2/20 0.32
USP2 O75604 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
POLB P06746 1/20 0.32
TP53 P04637 2/20 0.32
MAPT P10636 1/20 0.32
RCE1 Q9Y256 1/20 0.32
EPHX2 P34913 1/20 0.32
HTT P42858 1/20 0.31

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
SCHEMBL7485641 0.85 TSHR (0.35) TSHRSMN1; SMN2LMNAALDH1A1GAA
SCHEMBL5098738 0.84 CACNA1B (0.39) TSHRSMN1; SMN2KDM4E
SCHEMBL6594878 0.82 CTSK (0.41) TSHRSMN1; SMN2GAAUSP2KDM4E
SCHEMBL5098717 0.80 TSHR (0.33) TSHRSMN1; SMN2
SCHEMBL6630415 0.79 SMN1; SMN2 (0.39) SMN1; SMN2LMNAALDH1A1GAAMAPT
SCHEMBL4685652 0.78 CTSK (0.45) SMN1; SMN2LMNAALDH1A1KDM4EMAPT
SCHEMBL6594875 0.68 CTSK (0.40) TSHRSMN1; SMN2USP2KDM4EHTT
SCHEMBL5098815 0.67 CTSK (0.47)
SCHEMBL5105868 0.67 MEN1 (0.44) ALDH1A1HPGDMAPT
SCHEMBL5092594 0.66 SMN1; SMN2 (0.37) SMN1; SMN2LMNAALDH1A1GAAMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1158986-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2002-03-27 EP disclosed
EP-1158986-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2001-12-05 EP disclosed
WO-2000038687-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-07-06 WO disclosed