SCHEMBL5300358

SCHEMBL5300358

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

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.52
POLB P06746 1/20 0.48
ENPP2 Q13822 3/20 0.47
KDM1A O60341 2/20 0.47
MAOA P21397 2/20 0.47
MAOB P27338 2/20 0.47
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
TSHR P16473 1/20 0.47
RAB9A P51151 1/20 0.47
ATM Q13315 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
RCOR1 Q9UKL0 1/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.44

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
SCHEMBL6208407 0.90 KDM1A (0.49) MGLLPOLBENPP2KDM1AMAOA
SCHEMBL6210658 0.89 NPC1 (0.48) MGLLPOLBENPP2KDM1AMAOA
SCHEMBL6477799 0.88 MGLL (0.47) MGLLPOLBENPP2KDM1AMAOA
SCHEMBL4707931 0.88 MGLL (0.47) MGLLPOLBENPP2KDM1AMAOA
SCHEMBL18396756 0.87 ALDH1A1 (0.47) MGLLPOLBENPP2KDM1AMAOA
SCHEMBL5283076 0.86 MGLL (0.45) MGLLPOLBENPP2KDM1AMAOA
SCHEMBL5288455 0.85 CTSL (0.45) MGLLPOLBENPP2KDM1AMAOA
SCHEMBL5289468 0.85 MGLL (0.44) MGLLPOLBENPP2KDM1AMAOA
SCHEMBL5283837 0.85 MGLL (0.50) MGLLPOLBENPP2KDM1AMAOA
SCHEMBL6477573 0.84 MGLL (0.43) MGLLPOLBKDM1AMAOAMAOB

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