SCHEMBL2179060

SCHEMBL2179060

O=S(=O)(c1ccc(C(Cc2nc3cccnc3[nH]2)C2CCOCC2)cc1)C1CC1

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GCK P35557 12/20 0.40
NAMPT P43490 8/20 0.40
CYP2C9 P11712 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
SCHEMBL2179056 0.78 GCK (0.47) GCK
SCHEMBL2179866 0.76 GSR (0.37) GCKNAMPTCYP2C9
SCHEMBL2178449 0.73 PIK3C3 (0.37) GCKNAMPTCYP2C9
SCHEMBL2180005 0.72 GCK (0.40) GCK
SCHEMBL2196374 0.69 GCK (0.51) GCKNAMPT
SCHEMBL2280345 0.67 GCK (0.47) GCKNAMPT
SCHEMBL2280341 0.67 GCK (0.47) GCKNAMPT
SCHEMBL2180026 0.66 GCK (0.48) GCK
SCHEMBL2198514 0.66 GCK (0.50) GCKNAMPT
SCHEMBL2178179 0.65 ALDH1A1 (0.34) GCKNAMPT

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-2011080755-A1 FUSED NITROGEN HETEROCYCLIC COMPOUNDS, PROCESS OF PREPARATION AND USES THEREOF ADVINUS THERAPEUTICS PRIVATE LIMITED (IN) 2011-07-07 WO claimed
WO-2011080755-A1 FUSED NITROGEN HETEROCYCLIC COMPOUNDS, PROCESS OF PREPARATION AND USES THEREOF ADVINUS THERAPEUTICS PRIVATE LIMITED (IN) 2011-07-07 WO disclosed