SCHEMBL7485641

SCHEMBL7485641

Cc1nc(S(=O)(=O)N2CCCC(NC(=O)[CH]CC(C)C)[C@@H](O)C2)n[nH]1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.33
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
JAK3 P52333 1/20 0.32
LMNA P02545 3/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 2/20 0.31
USP2 O75604 2/20 0.31
POLB P06746 1/20 0.31
TP53 P04637 2/20 0.31
MAPT P10636 2/20 0.31
RCE1 Q9Y256 1/20 0.31
HTT P42858 2/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL5098717 0.91 TSHR (0.33) TSHRSMN1; SMN2
SCHEMBL7485646 0.85 TSHR (0.36) TSHRSMN1; SMN2LMNAALDH1A1GAA
SCHEMBL5098738 0.83 CACNA1B (0.39) TSHRSMN1; SMN2
SCHEMBL6594875 0.81 CTSK (0.40) TSHRSMN1; SMN2JAK2JAK1JAK3
SCHEMBL6630414 0.80 SMN1; SMN2 (0.38) SMN1; SMN2LMNAALDH1A1GAAMAPT
SCHEMBL4685650 0.79 CTSK (0.44) SMN1; SMN2LMNAALDH1A1MAPTHTT
SCHEMBL4690471 0.74 CTSK (0.39) LMNAALDH1A1USP2POLBTP53
SCHEMBL5098802 0.73 CTSK (0.37) TSHR
SCHEMBL5092592 0.72 LMNA (0.36) SMN1; SMN2LMNAALDH1A1GAAMAPT
SCHEMBL4693518 0.71 CTSK (0.41) SMN1; SMN2LMNAALDH1A1MAPTHTT

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