SCHEMBL6528111

SCHEMBL6528111

CN1C(=S)C(F)(F)c2cc(NC(=O)OCc3ccccc3)ccc21

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.49
TSHR P16473 3/20 0.47
TP53 P04637 2/20 0.47
MAPT P10636 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
ALDH1A1 P00352 1/20 0.47
ATM Q13315 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
POLB P06746 1/20 0.45
ENPP2 Q13822 3/20 0.45
ROCK2 O75116 1/20 0.44
FSHR P23945 1/20 0.43
PTPN1 P18031 1/20 0.43
KDM1A O60341 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.42
SCD O00767 1/20 0.42

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
SCHEMBL5861471 0.89 MGLL (0.49) MGLLTSHRTP53MAPTNPC1
SCHEMBL6530879 0.87 MGLL (0.45) MGLLTSHRTP53MAPTNPC1
SCHEMBL6530872 0.87 MGLL (0.45) MGLLTSHRTP53MAPTNPC1
SCHEMBL6529297 0.85 TSHR (0.45) MGLLTSHRTP53MAPTNPC1
SCHEMBL5862878 0.81 MGLL (0.47) MGLLTSHRTP53MAPTNPC1
SCHEMBL6529620 0.76 SMN1; SMN2 (0.50) MGLLTSHRTP53MAPTNPC1
SCHEMBL6529833 0.74 NPC1 (0.59) MGLLTSHRTP53MAPTNPC1
SCHEMBL22808203 0.73 TP53 (0.61) MGLLTSHRTP53MAPTNPC1
SCHEMBL14898019 0.73 MAPT (0.54) MGLLTSHRTP53MAPTNPC1
SCHEMBL6530208 0.72 SYK (0.52) MGLLTSHRTP53MAPTNPC1

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-2005082900-A2 OXAZOLIDINONE AMIDOXIMES AS ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2005-09-09 WO disclosed