SCHEMBL8890215

SCHEMBL8890215

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

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.35
GAA P10253 6/20 0.35
ALDH1A1 P00352 6/20 0.34
HPGD P15428 5/20 0.34
KDM4E B2RXH2 4/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
LMNA P02545 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TSHR P16473 1/20 0.33
AGTR1 P30556 1/20 0.32
ALOX5AP P20292 3/20 0.31
FEN1 P39748 3/20 0.31
ATM Q13315 1/20 0.30
TP53 P04637 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
SCHEMBL8891459 0.73 GAA (0.39) MAPTGAAALDH1A1HPGDLMNA
SCHEMBL8891610 0.69 MAPT (0.35) MAPTGAATSHR
Dimethylamine SCHEMBL8892607 0.68 GAA (0.36) MAPTGAAALDH1A1KDM4ELMNA
SCHEMBL8893140 0.64 MAPT (0.34) MAPTGAAALDH1A1HPGDKDM4E
SCHEMBL8892604 0.64 GAA (0.33) MAPTGAA
SCHEMBL20157365 0.62 MAPT (0.42) MAPTGAAALDH1A1HPGDLMNA
SCHEMBL5154526 0.61
SCHEMBL12179246 0.60
SCHEMBL27562671 0.60 GAA (0.47) GAAALDH1A1HPGDHSD17B10LMNA
SCHEMBL16075161 0.59 GAA (0.57) MAPTGAAALDH1A1HPGDKDM4E

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