SCHEMBL7538673

SCHEMBL7538673

CCC[CH]C(=O)NC1CCCN(S(=O)(=O)c2cccnc2)CC1=O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.49
GAA P10253 2/20 0.47
ALDH1A1 P00352 3/20 0.47
HSD17B10 Q99714 1/20 0.46
LMNA P02545 2/20 0.45
KDM4E B2RXH2 2/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 3/20 0.44
GFER P55789 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HTT P42858 1/20 0.43
RECQL P46063 1/20 0.43
MAPK1 P28482 1/20 0.43
MAPT P10636 1/20 0.42

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
SCHEMBL5096603 0.85 HSD17B10 (0.45) ATMGAAALDH1A1HSD17B10LMNA
SCHEMBL7538681 0.84 ATM (0.49) ATMGAAALDH1A1HSD17B10LMNA
SCHEMBL7533624 0.83 CTSK (0.42) GAAALDH1A1LMNASMN1; SMN2
SCHEMBL7426096 0.83 CTSK (0.54)
SCHEMBL7428434 0.80 MEN1 (0.48) GAAALDH1A1KDM4ESMN1; SMN2HTT
SCHEMBL7481625 0.79 CTSK (0.39) GAAALDH1A1HPGDTSHRSMN1; SMN2
SCHEMBL5096605 0.79 CTSK (0.50) ATMGAAALDH1A1HSD17B10LMNA
SCHEMBL6897906 0.78 CTSK (0.53)
SCHEMBL7424838 0.76 CTSK (0.34)
SCHEMBL4767047 0.73 CTSK (0.42) LMNA

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 claimed
EP-1158986-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2001-12-05 EP claimed
WO-2000038687-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-07-06 WO claimed