SCHEMBL8595756

SCHEMBL8595756

O=[N+]([O-])Nc1cc(F)cc(F)c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 1/20 0.37
EPAS1 Q99814 6/20 0.37
ARNT P27540 1/20 0.36
ATM Q13315 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAPT P10636 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
RAPGEF4 Q8WZA2 1/20 0.33
TTR P02766 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA9 Q16790 1/20 0.31
FBP1 P09467 1/20 0.31

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
SCHEMBL6314556 0.77
SCHEMBL2469875 0.76 ALDH1A1 (0.49) ATMTDP1MAPTALDH1A1HTT
SCHEMBL27823034 0.74 ATM (0.42) ATMTDP1MAPTALDH1A1HTT
SCHEMBL11669404 0.71 S100A4 (0.37) MAPTMEN1KMT2A
SCHEMBL3712468 0.71 ALDH3A1 (0.47) SOS1ATMTDP1MAPTALDH1A1
SCHEMBL10800614 0.71 GAA (0.39) ATMTDP1MAPTALDH1A1HTT
SCHEMBL562935 0.68 S1PR2 (0.47) MAPTALDH1A1
SCHEMBL12877829 0.68 ALDH1A1 (0.40) TDP1MAPTALDH1A1HTTKMT2A
SCHEMBL2567841 0.68 HTR6 (0.33)
SCHEMBL18956811 0.67 MAPT (0.51) SOS1EPAS1ARNTMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0673370-B1 TROPONE-SUBSTITUTED PHENYLOXAZOLIDINONE ANTIBACTERIAL AGENTS UPJOHN CO (US) 1998-01-07 EP disclosed
US-5523403-A Tropone-substituted phenyloxazolidinone antibacterial agents THE UPJOHN COMPANY (US) 1996-06-04 US disclosed
EP-0673370-A1 TROPONE-SUBSTITUTED PHENYLOXAZOLIDINONE ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 1995-09-27 EP disclosed
WO-1994013649-A1 TROPONE-SUBSTITUTED PHENYLOXAZOLIDINONE ANTIBACTERIAL AGENTS THE UPJOHN COMPANY (US) 1994-06-23 WO disclosed