SCHEMBL626466

SCHEMBL626466

CC(=O)N1CCC(c2csc(NC(=O)C(OC3CCC3)c3ccc(S(=O)(=O)N4CCCC4)cc3)n2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCK P35557 5/20 0.50
TDP1 Q9NUW8 1/20 0.44
ATM Q13315 1/20 0.43
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
ALDH1A1 P00352 9/20 0.42
KDM4E B2RXH2 5/20 0.42
HPGD P15428 5/20 0.42
HSD17B10 Q99714 5/20 0.42
LMNA P02545 7/20 0.42
MAPT P10636 5/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
PPARG P37231 2/20 0.42
NCOA2 Q15596 2/20 0.42
NCOA1 Q15788 2/20 0.42
NCOA3 Q9Y6Q9 2/20 0.42
GAA P10253 1/20 0.42
MAPK1 P28482 6/20 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
SCHEMBL624317 0.89 GCK (0.52) GCK
SCHEMBL185802 0.83 GCK (0.61) GCK
SCHEMBL623640 0.81 GCK (0.48) GCK
SCHEMBL623516 0.80 GCK (0.47) GCK
SCHEMBL623424 0.74 GCK (0.46) GCK
SCHEMBL623036 0.73 GCK (0.79) GCK
SCHEMBL623635 0.72 GCK (0.60) GCKALDH1A1KDM4EHPGDHSD17B10
SCHEMBL623754 0.71 GLA (0.51) GCKTDP1ALDH1A1MAPTMEN1
SCHEMBL626401 0.71 GCK (0.56) GCKALDH1A1HPGDHSD17B10LMNA
SCHEMBL628093 0.70 ALDH1A1 (0.59) GCKALDH1A1KDM4EHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012020357-A1 ACETAMIDE COMPOUNDS, THEIR PROCESS AND PHARMACEUTICAL APPLICATION ADVINUS THERAPEUTICS LTD. (IN) 2012-02-16 WO claimed