SCHEMBL623773

SCHEMBL623773

CCOC(=O)Cc1nc(NC(=O)C(OC2CCc3ccccc32)c2ccc([S+]([O-])C3CC3)cc2)sc1Cl

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GCK P35557 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.35
FFAR1 O14842 3/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
CTSV O60911 1/20 0.30
CTSL P07711 1/20 0.30
CTSS P25774 1/20 0.30
CTSK P43235 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL623794 0.90 GCK (0.48) GCKSMN1; SMN2FFAR1
SCHEMBL623592 0.89 GCK (0.43) GCKSMN1; SMN2MEN1GAAKMT2A
SCHEMBL623795 0.76 GCK (0.55) GCK
SCHEMBL624659 0.75 GCK (0.51) GCK
SCHEMBL624752 0.72 GCK (0.56) GCK
SCHEMBL624737 0.71 GCK (0.57) GCK
SCHEMBL622614 0.71 GCK (0.58) GCK
SCHEMBL184595 0.70 GCK (0.63) GCK
SCHEMBL11972362 0.70 GCK (0.62) GCK
SCHEMBL185196 0.69 GCK (0.59) 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 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 disclosed