SCHEMBL13757074

SCHEMBL13757074

O=C(Nc1nccs1)[C@]1(c2ccc(S(=O)(=O)NCCc3ccccn3)cc2)C[C@H]1C1CCCCC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GCK P35557 4/20 0.67
▸ MEN1 O00255 5/20 0.48
▸ KMT2A Q03164 5/20 0.48
▸ TSHR P16473 3/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ USP2 O75604 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ HTT P42858 2/20 0.48
▸ STAT3 P40763 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ RAB9A P51151 2/20 0.46
▸ ALDH1A1 P00352 4/20 0.43
▸ MAPK1 P28482 1/20 0.42
▸ PKM P14618 3/20 0.40
▸ MAPK10 P53779 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ PPARG P37231 1/20 0.39
▸ NR3C1 P04150 2/20 0.38
▸ POLB P06746 1/20 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
SCHEMBL1582066 1.00 GCK (0.67) GCKMEN1KMT2ATSHRSMN1; SMN2
SCHEMBL1581520 0.99 GCK (0.65) GCKMEN1KMT2ATSHRSMN1; SMN2
SCHEMBL13757051 0.99 GCK (0.65) GCKMEN1KMT2ATSHRSMN1; SMN2
SCHEMBL12720684 0.99 GCK (0.65) GCKMEN1KMT2ATSHRSMN1; SMN2
SCHEMBL1582051 0.92 GCK (0.57) GCKMEN1KMT2ATSHRSMN1; SMN2
SCHEMBL13757073 0.92 GCK (0.57) GCKMEN1KMT2ATSHRSMN1; SMN2
SCHEMBL9072594 0.84 RAB9A (0.50) GCKMEN1KMT2ATSHRSMN1; SMN2
SCHEMBL1581947 0.84 RAB9A (0.52) GCKMEN1KMT2ATSHRSMN1; SMN2
SCHEMBL12720782 0.83 RAB9A (0.51) GCKMEN1KMT2ATSHRSMN1; SMN2
SCHEMBL2666188 0.82 GCK (0.82) GCKMEN1KMT2ATSHRSMN1; SMN2

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
US-7576108-B2 Substituted arylcyclopropylacetamides as glucokinase activators ELI LILLY AND COMPANY (US) 2009-08-18 — — US disclosed
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