SCHEMBL4705638

SCHEMBL4705638

O=C(O)C(O)CNc1ccc(N2CC(F)(F)C2)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
MAPT P10636 5/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
NPY2R P49146 7/20 0.37
CYP2C19 P33261 2/20 0.36
CYP2C9 P11712 1/20 0.36
PKM P14618 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
CNR2 P34972 1/20 0.34
HTT P42858 1/20 0.34
CYP3A4 P08684 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL4706410 1.00 KDM4E (0.41) KDM4EMAPTMEN1KMT2ANPY2R
SCHEMBL4705294 0.84 PTGS1 (0.32) PTGS1PTGS2
SCHEMBL4703965 0.84 PTGS1 (0.32) PTGS1PTGS2
SCHEMBL5242382 0.77 KDM4E (0.46) KDM4EMAPTMEN1KMT2ANPY2R
SCHEMBL5245832 0.77 KDM4E (0.39) KDM4EMAPTMEN1KMT2ANPY2R
SCHEMBL4705759 0.68 FFAR4 (0.34)
SCHEMBL4705757 0.68 FFAR4 (0.34)
SCHEMBL4876875 0.67 PTGS1 (0.31) PTGS1PTGS2
SCHEMBL4876862 0.67 PTGS1 (0.31) MAPTCYP2C9SMN1; SMN2PTGS1PTGS2
SCHEMBL3039892 0.67 KDM4E (0.33) KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1902048-A1 OXAZOLIDINONE CARBOXAMIDES CONTAINING AZETIDINE AND CYCLOBUTANE AS ANTIBACTERIAL AGENTS Pharmacia & Upjohn Company LLC (US) 2008-03-26 EP disclosed
WO-2007004037-A1 OXAZOLIDINONE CARBOXAMIDES CONTAINING AZETIDINE AND CYCLOBUTANE AS ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2007-01-11 WO disclosed