SCHEMBL2179066

SCHEMBL2179066

O=C(O)Cc1ncc2cc(CC(c3ccc(S(=O)(=O)C4CCCC4)cc3)C3CCCCC3)[nH]c2n1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 1/20 0.39
EGLN1 Q9GZT9 1/20 0.39
NAMPT P43490 12/20 0.35
GCK P35557 4/20 0.34
LNPEP Q9UIQ6 1/20 0.34
PIK3C3 Q8NEB9 1/20 0.32
CYP2C9 P11712 1/20 0.32
ADAMTS4 O75173 1/20 0.32

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
SCHEMBL2180465 0.84 GCK (0.38) NAMPTGCK
SCHEMBL2178622 0.82 NAMPT (0.34) EGLN2EGLN1NAMPTGCKLNPEP
SCHEMBL2179064 0.80 GCK (0.44) EGLN2EGLN1GCKLNPEP
SCHEMBL2178179 0.75 ALDH1A1 (0.34) EGLN2EGLN1NAMPTGCKLNPEP
SCHEMBL2178449 0.75 PIK3C3 (0.37) NAMPTGCKLNPEPPIK3C3CYP2C9
SCHEMBL2180161 0.69 NAMPT (0.37) NAMPT
SCHEMBL2038418 0.68 KMT2A (0.38) NAMPTGCK
SCHEMBL2179866 0.65 GSR (0.37) NAMPTGCKPIK3C3CYP2C9
SCHEMBL2176812 0.64 NAMPT (0.42) NAMPTGCK
SCHEMBL2180461 0.64 GCK (0.46) 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