SCHEMBL626565

SCHEMBL626565

O=C(O)CN(C1CCCC1)S(=O)(=O)c1ccc(C(OC2CCCC2)C(=O)Nc2nc(C(O)CO)ns2)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GCK P35557 11/20 0.44
AVPR1B P47901 3/20 0.40
NPSR1 Q6W5P4 4/20 0.34
LMNA P02545 2/20 0.34
ALDH1A1 P00352 2/20 0.34
SLC6A9 P48067 1/20 0.34
USP2 O75604 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TP53 P04637 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL625644 0.84 GCK (0.59) GCK
SCHEMBL626610 0.81 GCK (0.43) GCKAVPR1B
SCHEMBL626566 0.79 GCK (0.35) GCK
SCHEMBL184382 0.78 GCK (0.69) GCK
SCHEMBL19921745 0.76 GCK (0.63) GCK
SCHEMBL626522 0.68 GCK (0.61) GCK
SCHEMBL626322 0.67 GCK (0.59) GCK
SCHEMBL626304 0.67 GCK (0.64) GCK
SCHEMBL627284 0.66 GCK (0.85) GCK
SCHEMBL626775 0.65 GCK (0.73) GCK

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