SCHEMBL8899503

SCHEMBL8899503

Cc1nc(C#N)c(OC(=O)CS)o1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.34
TSHR P16473 1/20 0.34
KDM4E B2RXH2 2/20 0.33
GAA P10253 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL3726773 0.64 GAA (0.38) MAPTTSHRKDM4EGAAALDH1A1
SCHEMBL5154526 0.63
SCHEMBL8899498 0.62 GAA (0.35) MAPTTSHRGAA
SCHEMBL12179246 0.62
SCHEMBL8899495 0.61 POLB (0.41) MAPTTSHRKDM4EGAAHSD17B10
SCHEMBL8899509 0.61 GAA (0.33) MAPTTSHRGAASMN1; SMN2
SCHEMBL9566156 0.57 MAPT (0.41) MAPTTSHRKDM4EGAAHSD17B10
SCHEMBL20991041 0.57 GAA (0.41) MAPTTSHRGAAALDH1A1LMNA
SCHEMBL20157365 0.57 MAPT (0.42) MAPTTSHRGAAALDH1A1LMNA
SCHEMBL16075161 0.57 GAA (0.57) MAPTTSHRKDM4EGAAHSD17B10

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