SCHEMBL5288833

SCHEMBL5288833

O=C(Nc1cc(F)c(N2CC(F)(F)C2)c(F)c1)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.49
POLB P06746 1/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
TP53 P04637 2/20 0.47
MAPT P10636 2/20 0.47
ALDH1A1 P00352 1/20 0.47
TSHR P16473 1/20 0.47
ATM Q13315 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM1A O60341 2/20 0.45
MAOA P21397 2/20 0.45
MAOB P27338 2/20 0.45
ENPP2 Q13822 2/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.44
RCOR1 Q9UKL0 1/20 0.44
PTPN1 P18031 1/20 0.43

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
SCHEMBL5293166 0.99 MGLL (0.48) MGLLPOLBNPC1RAB9ATP53
SCHEMBL5286245 0.91 MGLL (0.47) MGLLPOLBNPC1RAB9ATP53
SCHEMBL5286950 0.89 MGLL (0.47) MGLLPOLBNPC1RAB9ATP53
SCHEMBL5465968 0.87 MGLL (0.46) MGLLPOLBNPC1RAB9ATP53
SCHEMBL18410284 0.87 NPC1 (0.47) MGLLPOLBNPC1RAB9ATP53
SCHEMBL5282019 0.87 MGLL (0.46) MGLLPOLBNPC1RAB9ATP53
SCHEMBL5284850 0.87 MGLL (0.46) MGLLPOLBNPC1RAB9ATP53
SCHEMBL5289425 0.86 MGLL (0.45) MGLLPOLBNPC1RAB9ATP53
SCHEMBL5283837 0.85 MGLL (0.50) MGLLPOLBNPC1RAB9ATP53
SCHEMBL5300358 0.84 MGLL (0.52) MGLLPOLBNPC1RAB9ATP53

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-2007004049-A1 OXAZOLIDINONES CONTAINING AZETIDINE AS ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2007-01-11 WO disclosed