SCHEMBL8891459

SCHEMBL8891459

Cc1nc(C#N)c(S(C)(=O)=O)o1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.39
MAPT P10636 3/20 0.36
TSHR P16473 1/20 0.33
GFER P55789 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HPGD P15428 1/20 0.31
PTGS2 P35354 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL8891235 0.79
SCHEMBL8891125 0.77 KDM4E (0.35) GAAMAPTTSHRSMN1; SMN2HPGD
SCHEMBL8891610 0.76 MAPT (0.35) GAAMAPTTSHR
Dimethylamine SCHEMBL8892607 0.75 GAA (0.36) GAAMAPTTSHRGFERSMN1; SMN2
SCHEMBL8892604 0.74 GAA (0.33) GAAMAPTGFERSMN1; SMN2
SCHEMBL12179246 0.70
SCHEMBL8891848 0.70 ALDH1A1 (0.39) GAAMAPTTSHRSMN1; SMN2HPGD
SCHEMBL8889560 0.70 NOTUM (0.40) GAAHPGDALDH1A1
SCHEMBL5154526 0.67
SCHEMBL8891931 0.65

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-1997024340-A1 OXAZOLE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-07-10 WO disclosed