SCHEMBL17414656

SCHEMBL17414656

O=C(Cl)c1csc(COc2ccc(-c3cc(F)c(F)c4ccoc34)cc2)n1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GYS1 P13807 10/20 0.47
MAPT P10636 5/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
HSP90AA1 P07900 1/20 0.39
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPK1 P28482 1/20 0.38
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
MMP13 P45452 1/20 0.34
PPARD Q03181 1/20 0.33

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
SCHEMBL17414679 0.92 GYS1 (0.50) GYS1MAPTNPC1RAB9AHSP90AA1
SCHEMBL17414643 0.83 GYS1 (0.46) GYS1MAPTNPC1RAB9AHSP90AA1
SCHEMBL17414644 0.83 GYS1 (0.47) GYS1MAPTNPC1RAB9AHSP90AA1
SCHEMBL17414649 0.81 GYS1 (0.47) GYS1MAPTNPC1RAB9AHSP90AA1
SCHEMBL17414673 0.80 GYS1 (0.49) GYS1MAPTNPC1RAB9AHSP90AA1
SCHEMBL17414636 0.79 MAPT (0.48) GYS1MAPTNPC1RAB9AHSP90AA1
SCHEMBL17414635 0.78 POLB (0.51) GYS1MAPTNPC1RAB9AHSP90AA1
SCHEMBL17414661 0.77 GYS1 (0.52) GYS1MAPTNPC1RAB9AHSP90AA1
SCHEMBL16224780 0.76 GYS1 (0.70) GYS1
SCHEMBL17414637 0.75 GYS1 (0.49) GYS1MAPTNPC1RAB9AHSP90AA1

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
WO-2016002853-A1 MEDICINAL COMPOSITION FOR TREATING DIABETES 味の素株式会社 2016-01-07 WO disclosed