SCHEMBL2178179

SCHEMBL2178179

O=S(=O)(c1ccc(C(Cc2cc3ncc(Cl)nc3[nH]2)C2CCCCC2)cc1)C1CC1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
GCK P35557 8/20 0.32
LNPEP Q9UIQ6 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NAMPT P43490 3/20 0.31
CNR1 P21554 1/20 0.31
EGLN2 Q96KS0 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31
PIK3C3 Q8NEB9 1/20 0.31
S100A9 P06702 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
SCHEMBL2178449 0.85 PIK3C3 (0.37) GCKLNPEPNAMPTPIK3C3
SCHEMBL2178622 0.79 NAMPT (0.34) GCKLNPEPNAMPTEGLN2EGLN1
SCHEMBL2178177 0.78 GCK (0.47) GCKLNPEP
SCHEMBL2179866 0.77 GSR (0.37) ALDH1A1GCKMEN1KMT2ANAMPT
SCHEMBL2179066 0.75 EGLN2 (0.39) GCKLNPEPNAMPTEGLN2EGLN1
SCHEMBL2178527 0.72 GCK (0.35) GCK
SCHEMBL2180005 0.69 GCK (0.40) GCK
SCHEMBL2178905 0.69 GCK (0.38) GCKNAMPTCNR1
SCHEMBL2180161 0.68 NAMPT (0.37) ALDH1A1MEN1KMT2ANAMPT
SCHEMBL2179681 0.67 GCK (0.48) 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-2011080755-A1 FUSED NITROGEN HETEROCYCLIC COMPOUNDS, PROCESS OF PREPARATION AND USES THEREOF ADVINUS THERAPEUTICS PRIVATE LIMITED (IN) 2011-07-07 WO disclosed