SCHEMBL5283837

SCHEMBL5283837

O=C1CN(c2c(F)cc(NC(=O)OCc3ccccc3)cc2F)C1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.50
POLB P06746 1/20 0.49
TP53 P04637 2/20 0.48
MAPT P10636 2/20 0.48
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.48
RAB9A P51151 1/20 0.48
ATM Q13315 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PTPN1 P18031 1/20 0.46
KDM1A O60341 2/20 0.46
MAOA P21397 2/20 0.46
MAOB P27338 2/20 0.46
ENPP2 Q13822 2/20 0.46
ROCK2 O75116 1/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.45
RCOR1 Q9UKL0 1/20 0.45
PRKDC P78527 1/20 0.45

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
SCHEMBL5289631 0.87 MGLL (0.47) MGLLPOLBTP53MAPTNPC1
SCHEMBL5288833 0.85 MGLL (0.49) MGLLPOLBTP53MAPTNPC1
SCHEMBL5300358 0.85 MGLL (0.52) MGLLPOLBTP53MAPTNPC1
SCHEMBL5290626 0.85 MGLL (0.45) MGLLPOLBTP53MAPTNPC1
SCHEMBL5301950 0.84 MGLL (0.44) MGLLPOLBTP53MAPTNPC1
SCHEMBL4011941 0.84 MGLL (0.48) MGLLPOLBTP53MAPTNPC1
SCHEMBL5293166 0.84 MGLL (0.48) MGLLPOLBTP53MAPTNPC1
SCHEMBL6208407 0.84 KDM1A (0.49) MGLLPOLBTP53MAPTNPC1
SCHEMBL18787217 0.84 PRKDC (0.57) MGLLPOLBTP53MAPTNPC1
SCHEMBL5286245 0.83 MGLL (0.47) MGLLPOLBTP53MAPTNPC1

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