SCHEMBL8899495

SCHEMBL8899495

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
APEX1 P27695 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 4/20 0.36
NOTUM Q6P988 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALOX15 P16050 1/20 0.36
GAA P10253 2/20 0.35
BCAT2 O15382 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
TSHR P16473 1/20 0.35
CSNK2A2 P19784 1/20 0.34
CSNK2B P67870 1/20 0.34
CSNK2A1 P68400 1/20 0.34
NPSR1 Q6W5P4 1/20 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
SCHEMBL8893136 0.78 HPGD (0.45) SMN1; SMN2ALDH1A1HSD17B10ALOX15GAA
SCHEMBL8899509 0.74 GAA (0.33) SMN1; SMN2GAAMAPTTSHRNPSR1
SCHEMBL8893294 0.69 AR (0.39) SMN1; SMN2ALDH1A1HSD17B10GAAMEN1
SCHEMBL3726773 0.65 GAA (0.38) POLBSMN1; SMN2ALDH1A1GAAKMT2A
SCHEMBL5154526 0.64
SCHEMBL11089472 0.64 KDM4E (0.53) POLBSMN1; SMN2TDP1ALDH1A1NOTUM
SCHEMBL8899498 0.64 GAA (0.35) GAAMAPTTSHR
SCHEMBL12179246 0.63
SCHEMBL8899503 0.61 MAPT (0.34) SMN1; SMN2ALDH1A1HSD17B10GAAMAPT
SCHEMBL8891161 0.61 HTT (0.46) SMN1; SMN2ALDH1A1GAAMEN1KMT2A

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