SCHEMBL16429390

SCHEMBL16429390

COC(=O)CCSc1cnc(N)c(Sc2ccccc2O)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CA2 P00918 2/20 0.35
▸ CA4 P22748 2/20 0.35
▸ CXCR1 P25024 1/20 0.35
▸ CXCR2 P25025 1/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA3 P07451 1/20 0.35
▸ CA6 P23280 1/20 0.35
▸ CA7 P43166 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ CA13 Q8N1Q1 1/20 0.35
▸ CA14 Q9ULX7 1/20 0.35
▸ CA5B Q9Y2D0 1/20 0.35
▸ PTPN11 Q06124 1/20 0.35
▸ GAA P10253 2/20 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
SCHEMBL15196329 0.89 ALDH1A1 (0.39) HSD17B10POLBALDH1A1SMN1; SMN2CA2
SCHEMBL9072457 0.89 CYP1A2 (0.40) ALDH1A1CA2CA4CA12CA1
SCHEMBL16488510 0.77 CXCR1 (0.38) HSD17B10POLBALDH1A1CXCR1CXCR2
SCHEMBL2668579 0.76 ATM (0.39) ALDH1A1HPGDLMNAMEN1RAB9A
SCHEMBL10588609 0.71 LMNA (0.47) HSD17B10POLBALDH1A1SMN1; SMN2MAPK1
SCHEMBL2667557 0.70 ATM (0.39) HSD17B10ALDH1A1CXCR1CXCR2HPGD
SCHEMBL8144828 0.70 HSD17B10 (0.66) HSD17B10POLBALDH1A1MAPK1GAA
SCHEMBL9072456 0.70 CXCR1 (0.45) SMN1; SMN2CXCR1CXCR2RAB9AMAPT
SCHEMBL17045927 0.69 EPHX2 (0.52) HSD17B10POLBALDH1A1LMNAMEN1
SCHEMBL28897181 0.69 CYP1A2 (0.59) POLBALDH1A1SMN1; SMN2MAPK1HPGD

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-2543667-B1 A method of preparing 2-aminopyridine analogs as glucokinase activators ARRAY BIOPHARMA INC (US) 2015-01-28 — — EP disclosed
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