SCHEMBL2178622

SCHEMBL2178622

O=S(=O)(c1ccc(C(Cc2cc3cncnc3[nH]2)C2CCCCC2)cc1)C1CCCC1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 14/20 0.34
PIK3C3 Q8NEB9 1/20 0.33
EGLN2 Q96KS0 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
GCK P35557 2/20 0.33
LNPEP Q9UIQ6 1/20 0.33
CYP2C9 P11712 1/20 0.33
PIP4K2A P48426 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
SCHEMBL2180161 0.86 NAMPT (0.37) NAMPT
SCHEMBL2179066 0.82 EGLN2 (0.39) NAMPTPIK3C3EGLN2EGLN1GCK
SCHEMBL2178179 0.79 ALDH1A1 (0.34) NAMPTPIK3C3EGLN2EGLN1GCK
SCHEMBL2178449 0.79 PIK3C3 (0.37) NAMPTPIK3C3GCKLNPEPCYP2C9
SCHEMBL2178618 0.78 GCK (0.52) EGLN2EGLN1GCKLNPEP
SCHEMBL2038418 0.70 KMT2A (0.38) NAMPTGCK
SCHEMBL2179866 0.69 GSR (0.37) NAMPTPIK3C3GCKCYP2C9
SCHEMBL2039421 0.68 GCK (0.39) GCK
SCHEMBL2195760 0.66 GCK (0.70) GCK
SCHEMBL2049518 0.66 MEN1 (0.42) 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