SCHEMBL2650213

SCHEMBL2650213

O=C(Nc1ccc(CC(C(=O)Nc2nccs2)C2CCCC2)cc1)c1ccncc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 8/20 0.49
▸ AGER Q15109 1/20 0.47
▸ MAPT P10636 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ LMNA P02545 2/20 0.45
▸ CYP2C19 P33261 2/20 0.45
▸ XBP1 P17861 1/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ USP2 O75604 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ STAT3 P40763 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ HSPA1A P0DMV8 1/20 0.44
▸ HSPA5 P11021 1/20 0.44
▸ HSPA9 P38646 1/20 0.44

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
SCHEMBL2652195 0.92 NPC1 (0.54) ADORA2AAGERMAPTSMN1; SMN2HSD17B10
SCHEMBL2650774 0.87 MAPT (0.59) ADORA2AAGERMAPTSMN1; SMN2HSD17B10
SCHEMBL2659242 0.82 LMNA (0.49) MAPTSMN1; SMN2HSD17B10NPC1RAB9A
SCHEMBL2650059 0.80 GCK (0.66) ADORA2AAGERMAPTSMN1; SMN2HSD17B10
SCHEMBL2653570 0.79 LMNA (0.45) MAPTSMN1; SMN2HSD17B10LMNAXBP1
SCHEMBL2651594 0.77 GCK (0.48) SMN1; SMN2HSD17B10LMNAXBP1MEN1
SCHEMBL2662039 0.76 LMNA (0.45) ADORA2ASMN1; SMN2NPC1RAB9ALMNA
SCHEMBL2661212 0.76 GCK (0.48) SMN1; SMN2NPC1RAB9ALMNACYP2C19
SCHEMBL2661654 0.75 GCK (0.48) SMN1; SMN2NPC1RAB9ALMNAXBP1
SCHEMBL2654208 0.74 GCK (0.47) SMN1; SMN2NPC1RAB9ALMNAXBP1

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-1283830-A1 PARA-AMINE SUBSTITUTED PHENYLAMIDE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2003-02-19 — — EP disclosed
WO-2001085707-A1 PARA-AMINE SUBSTITUTED PHENYLAMIDE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2001-11-15 — — WO disclosed
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