SCHEMBL1581696

SCHEMBL1581696

O=C(Nc1ncc(Cl)s1)C1(c2ccc(S(=O)(=O)Cc3cccnc3)cc2)CC1C1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GCK P35557 2/20 0.50
▸ JAK1 P23458 1/20 0.40
▸ NAMPT P43490 8/20 0.38
▸ MAPT P10636 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ ATG4B Q9Y4P1 1/20 0.35
▸ PIK3C3 Q8NEB9 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ ALDH1A1 P00352 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
SCHEMBL13757061 1.00 GCK (0.50) GCKJAK1NAMPTMAPTTDP1
SCHEMBL13757062 0.87 GCK (0.67) GCKJAK1NAMPTMAPTSMN1; SMN2
SCHEMBL1581694 0.87 GCK (0.67) GCKJAK1NAMPTMAPTSMN1; SMN2
SCHEMBL1582188 0.81 GCK (0.70) GCK
SCHEMBL12720676 0.81 GCK (0.70) GCK
SCHEMBL1581938 0.81 NAMPT (0.42) GCKJAK1NAMPTL3MBTL1SMN1; SMN2
SCHEMBL13757054 0.76 GCK (0.65) GCKNAMPTMAPTSMN1; SMN2ALDH1A1
SCHEMBL1581798 0.76 GCK (0.65) GCKNAMPTMAPTSMN1; SMN2ALDH1A1
SCHEMBL1581787 0.73 NAMPT (0.40) JAK1NAMPTL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL13757089 0.72 GCK (0.72) GCKSMN1; SMN2ALDH1A1

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
EP-1585739-B1 SUBSTITUTED ARYLCYCLOPROPYLACETAMIDES AS GLUCOKINASE ACTIVATORS LILLY CO ELI (US) 2011-04-20 — — EP disclosed
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