SCHEMBL2179861

SCHEMBL2179861

O=S(=O)(c1ccc(C(CC2CCCC2)c2nc3ccc(Cl)nc3[nH]2)cc1)C1CCCC1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.37
TXNRD1 Q16881 1/20 0.37
GCK P35557 18/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL2178177 0.77 GCK (0.47) GCK
SCHEMBL2179866 0.76 GSR (0.37) GSRTXNRD1GCKMEN1KMT2A
SCHEMBL2179056 0.74 GCK (0.47) GCK
SCHEMBL13477837 0.73 GCK (0.38) GCK
SCHEMBL2196814 0.71 GCK (0.58) GCKMEN1KMT2A
SCHEMBL2893943 0.71 GCK (0.40) GCK
SCHEMBL2197921 0.70 GCK (0.71) GCK
SCHEMBL2178618 0.70 GCK (0.52) GCK
SCHEMBL2419513 0.70 GCK (0.39) GCK
SCHEMBL2195760 0.69 GCK (0.70) 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-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