SCHEMBL7427486

SCHEMBL7427486

CC(C)CCC(=O)NC1CCCN(S(=O)(=O)c2ccc(Cl)cc2)CC1=O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
USP2 O75604 1/20 0.46
POLB P06746 2/20 0.43
GAA P10253 3/20 0.42
DPP4 P27487 1/20 0.42
LMNA P02545 4/20 0.42
CASP1 P29466 1/20 0.42
CTSK P43235 1/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL7434831 0.90 KMT2A (0.48) MEN1KMT2AGAADPP4ALDH1A1
SCHEMBL7431356 0.89 KMT2A (0.46) MEN1KMT2AGAALMNACTSK
SCHEMBL4766701 0.83 MEN1 (0.43) MEN1KMT2AUSP2POLBGAA
SCHEMBL7427478 0.83 MEN1 (0.43) MEN1KMT2AUSP2POLBGAA
SCHEMBL7041672 0.83 CTSK (0.47) MEN1KMT2AUSP2GAACTSK
SCHEMBL7426883 0.82 PAX8 (0.43) POLBGAALMNACTSKALDH1A1
SCHEMBL7432035 0.82 ALDH1A1 (0.48) MEN1KMT2ACTSKALDH1A1
SCHEMBL7427121 0.81 MEN1 (0.55) MEN1KMT2APOLBGAAALDH1A1
SCHEMBL4686330 0.80 CTSK (0.60) CTSK
SCHEMBL7477927 0.79 CTSK (0.50) LMNACTSKSMN1; SMN2

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