SCHEMBL4766701

SCHEMBL4766701

CC(C)C[CH]C(=O)N[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)CC1=O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
USP2 O75604 1/20 0.43
CTSK P43235 5/20 0.41
LMNA P02545 2/20 0.40
GAA P10253 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
POLB P06746 1/20 0.40
CTSL P07711 3/20 0.40
CTSS P25774 3/20 0.40
CASP1 P29466 1/20 0.39
HTT P42858 1/20 0.39
CTSB P07858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL7427478 1.00 MEN1 (0.43) MEN1KMT2AUSP2CTSKLMNA
SCHEMBL5092584 0.91 CTSK (0.47) MEN1KMT2ACTSKLMNAGAA
SCHEMBL5096573 0.91 EPHX2 (0.42) MEN1KMT2ACTSKLMNACTSL
SCHEMBL4767024 0.91 MEN1 (0.40) MEN1KMT2AUSP2CTSKLMNA
SCHEMBL7434825 0.90 KMT2A (0.45) MEN1KMT2ACTSKGAA
SCHEMBL5093139 0.90 KMT2A (0.45) MEN1KMT2ACTSKGAA
SCHEMBL7431349 0.89 KMT2A (0.45) MEN1KMT2ACTSKLMNAGAA
SCHEMBL6628532 0.86 CTSK (0.43) MEN1KMT2ACTSKLMNAGAA
SCHEMBL7427486 0.83 MEN1 (0.47) MEN1KMT2AUSP2CTSKLMNA
SCHEMBL5099617 0.83 CTSK (0.42) CTSKGAACTSLCTSSCTSB

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-1320370-A4 METHOD OF TREATMENT SMITHKLINE BEECHAM CORP (US) 2008-10-22 EP disclosed
EP-1320370-A1 METHOD OF TREATMENT SmithKline Beecham Corporation (US) 2003-06-25 EP disclosed
WO-2002017924-A1 METHOD OF TREATMENT SMITHKLINE BEECHAM CORPORATION (GB) 2002-03-07 WO disclosed