SCHEMBL5286245

SCHEMBL5286245

CC1(F)CN(c2c(F)cc(NC(=O)OCc3ccccc3)cc2F)C1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.47
POLB P06746 1/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
TSHR P16473 1/20 0.46
ATM Q13315 1/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.45
KDM1A O60341 2/20 0.43
MAOA P21397 2/20 0.43
MAOB P27338 2/20 0.43
ENPP2 Q13822 2/20 0.43
RCOR1 Q9UKL0 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL5286950 0.91 MGLL (0.47) MGLLPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL5288833 0.91 MGLL (0.49) MGLLPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL5293166 0.90 MGLL (0.48) MGLLPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL5284850 0.89 MGLL (0.46) MGLLPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL5282019 0.87 MGLL (0.46) MGLLPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL18410284 0.85 NPC1 (0.47) MGLLPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL5465968 0.85 MGLL (0.46) MGLLPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL5289425 0.84 MGLL (0.45) MGLLPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL5283837 0.83 MGLL (0.50) MGLLPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL5300358 0.82 MGLL (0.52) MGLLPOLBNPC1RAB9ASMN1; SMN2

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