SCHEMBL8893140

SCHEMBL8893140

Cc1nc(C#N)c(CC(=S)NCC(C)C)o1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.34
GAA P10253 4/20 0.33
KDM4E B2RXH2 4/20 0.33
ALDH1A1 P00352 4/20 0.33
HPGD P15428 3/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
LMNA P02545 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TSHR P16473 1/20 0.32
AGTR1 P30556 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL8893136 0.68 HPGD (0.45) MAPTGAAKDM4EALDH1A1HPGD
SCHEMBL8890215 0.64 MAPT (0.35) MAPTGAAKDM4EALDH1A1HPGD
SCHEMBL5154526 0.63
SCHEMBL20157365 0.60 MAPT (0.42) MAPTGAAALDH1A1HPGDLMNA
SCHEMBL12179246 0.59
SCHEMBL8891610 0.58 MAPT (0.35) MAPTGAATSHR
SCHEMBL22761399 0.57 MAPT (0.34) MAPTGAAHPGDTSHR
SCHEMBL16075161 0.57 GAA (0.57) MAPTGAAKDM4EALDH1A1HPGD
SCHEMBL3726773 0.57 GAA (0.38) MAPTGAAKDM4EALDH1A1HPGD
SCHEMBL13101408 0.57

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