SCHEMBL6530879

SCHEMBL6530879

CON=C1N(C)c2ccc(NC(=O)OCc3ccccc3)cc2C1(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.45
TSHR P16473 3/20 0.43
TP53 P04637 2/20 0.43
MAPT P10636 2/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
RAB9A P51151 1/20 0.43
ATM Q13315 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
FSHR P23945 1/20 0.42
POLB P06746 1/20 0.41
ENPP2 Q13822 2/20 0.41
ROCK2 O75116 1/20 0.41
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
PTPN1 P18031 1/20 0.40

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
SCHEMBL6530872 1.00 MGLL (0.45) MGLLTSHRTP53MAPTNPC1
SCHEMBL6528111 0.87 MGLL (0.49) MGLLTSHRTP53MAPTNPC1
SCHEMBL5861471 0.85 MGLL (0.49) MGLLTSHRTP53MAPTNPC1
SCHEMBL6529297 0.80 TSHR (0.45) MGLLTSHRTP53MAPTNPC1
SCHEMBL5862878 0.77 MGLL (0.47) MGLLTSHRTP53MAPTNPC1
SCHEMBL6530293 0.75 SMN1; SMN2 (0.47) MGLLTSHRTP53MAPTNPC1
SCHEMBL6530292 0.75 SMN1; SMN2 (0.47) MGLLTSHRTP53MAPTNPC1
SCHEMBL6528645 0.74 TSHR (0.55) MGLLTSHRTP53MAPTNPC1
SCHEMBL6511478 0.71 MGLL (0.47) MGLLTSHRTP53MAPTNPC1
SCHEMBL6511479 0.71 MGLL (0.47) 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