SCHEMBL4786337

SCHEMBL4786337

Cc1ccc(S(=O)(=O)Nc2cc3c(c(C(C)C)n2)C(=O)OCC3)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKM P14618 4/20 0.43
LMNA P02545 5/20 0.41
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 3/20 0.41
HSD11B1 P28845 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
THRB P10828 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PTPRC P08575 1/20 0.37
CDK2 P24941 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
PKLR P30613 1/20 0.36
HPGD P15428 1/20 0.36
PGAM1 P18669 1/20 0.36

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
SCHEMBL4786331 0.91 PKM (0.42) PKMLMNAKDM4EALDH1A1HSD11B1
SCHEMBL4788073 0.91 HSD11B1 (0.41) PKMLMNAKDM4EALDH1A1HSD11B1
SCHEMBL4787522 0.91 PKM (0.44) PKMLMNAKDM4EALDH1A1HSD11B1
SCHEMBL4788782 0.74 KDM4E (0.46) PKMLMNAKDM4EHSD11B1SMN1; SMN2
SCHEMBL4786333 0.71 CA1 (0.33)
SCHEMBL4787350 0.71 KDM4E (0.45) PKMKDM4EALDH1A1L3MBTL1
SCHEMBL4749246 0.70 DYRK1A (0.36) GAA
SCHEMBL4747016 0.70 MAOA (0.34)
SCHEMBL3486435 0.67 LMNA (0.54) PKMLMNAKDM4EALDH1A1HSD11B1
SCHEMBL18238925 0.65 MAOA (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008123756-A1 A PHARMACEUTICAL COMPOSITIONS CONTAINING LACTON TYPE PYRIDINE DERIVATIVES AS AN EFFECTIVE INGREDIENT FOR THE PREVENTION AND TREATMENT OF ISCHEMIA SK CHEMICALS CO., LTD. (KR) 2008-10-16 WO claimed
WO-2008123756-A1 A PHARMACEUTICAL COMPOSITIONS CONTAINING LACTON TYPE PYRIDINE DERIVATIVES AS AN EFFECTIVE INGREDIENT FOR THE PREVENTION AND TREATMENT OF ISCHEMIA SK CHEMICALS CO., LTD. (KR) 2008-10-16 WO disclosed