SCHEMBL2653085

SCHEMBL2653085

O=S(=O)(Cc1cccnc1)c1ccc(C2(CO)CC2)c(C2CCCC2)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 10/20 0.39
▸ JAK1 P23458 1/20 0.37
▸ TSHR P16473 3/20 0.37
▸ LMNA P02545 2/20 0.37
▸ HTT P42858 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ PKM P14618 1/20 0.35
▸ HTR6 P50406 1/20 0.34
▸ PDE4A P27815 1/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ PDE4C Q08493 1/20 0.34
▸ PDE4D Q08499 1/20 0.34
▸ GAA P10253 1/20 0.34

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
SCHEMBL2655064 0.85 NAMPT (0.41) NAMPTJAK1TSHRLMNAHTT
SCHEMBL2652954 0.76 PTGS2 (0.45) ALDH1A1HTR6
SCHEMBL2653857 0.76 PNMT (0.37) —
SCHEMBL2652996 0.75 PTGS2 (0.47) —
SCHEMBL2653153 0.71 ALDH1A1 (0.54) NAMPTTSHRLMNAHTTSMN1; SMN2
SCHEMBL1581787 0.69 NAMPT (0.40) NAMPTJAK1TSHRLMNAHTT
SCHEMBL1581885 0.67 TSHR (0.43) NAMPTJAK1TSHRLMNAHTT
SCHEMBL1581881 0.67 TSHR (0.43) NAMPTJAK1TSHRLMNAHTT
SCHEMBL2655331 0.66 HSP90AA1 (0.59) L3MBTL1ALDH1A1
SCHEMBL2653810 0.66 PTGDR2 (0.46) —

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
EP-1585739-A1 SUBSTITUTED ARYLCYCLOPROPYLACETAMIDES AS GLUCOKINASE ACTIVATORS ELI LILLY AND COMPANY (US) 2005-10-19 — — EP disclosed
WO-2004063179-A1 SUBSTITUTED ARYLCYCLOPROPYLACETAMIDES AS GLUCOKINASE ACTIVATORS ELI LILLY AND COMPANY (US) 2004-07-29 — — WO disclosed
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