SCHEMBL2659242

SCHEMBL2659242

COC(=O)c1ccc(CC(C(=O)Nc2nccs2)C2CCCC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.49
▸ XBP1 P17861 1/20 0.49
▸ PKM P14618 1/20 0.46
▸ GCK P35557 2/20 0.44
▸ KMT2A Q03164 5/20 0.44
▸ MEN1 O00255 4/20 0.44
▸ TSHR P16473 2/20 0.44
▸ EPHX2 P34913 1/20 0.44
▸ EPHX1 P07099 1/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ POLB P06746 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ FFAR2 O15552 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ USP2 O75604 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ STAT3 P40763 1/20 0.41

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
SCHEMBL2654208 0.91 GCK (0.47) LMNAXBP1PKMGCKKMT2A
SCHEMBL2650213 0.82 ADORA2A (0.49) LMNAXBP1KMT2AMEN1TSHR
SCHEMBL2652195 0.82 NPC1 (0.54) LMNAXBP1PKMRAB9ANPC1
SCHEMBL2651594 0.81 GCK (0.48) LMNAXBP1PKMGCKKMT2A
SCHEMBL2653570 0.80 LMNA (0.45) LMNAXBP1PKMGCKKMT2A
SCHEMBL2661212 0.80 GCK (0.48) LMNAXBP1PKMGCKKMT2A
SCHEMBL2650774 0.80 MAPT (0.59) LMNAPKMKMT2AMEN1TSHR
SCHEMBL2661654 0.79 GCK (0.48) LMNAXBP1PKMGCKKMT2A
SCHEMBL2651674 0.79 LMNA (0.46) LMNAXBP1PKMGCKKMT2A
SCHEMBL2662039 0.78 LMNA (0.45) LMNAXBP1PKMGCKKMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1169312-A2 GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2002-01-09 — — EP claimed
WO-2000058293-A2 GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2000-10-05 — — WO claimed
EP-1169312-A2 GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2002-01-09 — — EP disclosed
WO-2000058293-A2 GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2000-10-05 — — WO disclosed
Send feedback