SCHEMBL2176106

SCHEMBL2176106

O=S(=O)(c1ccc(C(CC2CCCCC2)c2cc3cncnc3[nH]2)cc1)N1CCC1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GCK P35557 15/20 0.49
KDM4E B2RXH2 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NAMPT P43490 4/20 0.38

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
SCHEMBL2178618 0.85 GCK (0.52) GCK
SCHEMBL2197922 0.85 GCK (0.50) GCKNAMPT
SCHEMBL2180161 0.80 NAMPT (0.37) KDM4ENAMPT
SCHEMBL1960871 0.74 GCK (0.61) GCK
SCHEMBL2199152 0.74 GCK (0.73) GCK
SCHEMBL1958744 0.73 GCK (0.60) GCK
SCHEMBL1960910 0.73 GCK (0.65) GCK
Hydrochloric Acid SCHEMBL1962614 0.73 GCK (0.60) GCK
SCHEMBL1958746 0.73 GCK (0.60) GCK
SCHEMBL2195760 0.73 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 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 claimed