SCHEMBL8979401

SCHEMBL8979401

C[C@H](O)COc1c([N+](=O)[O-])ccc(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
ALDH1A1 P00352 5/20 0.36
MAPT P10636 1/20 0.36
SRD5A2 P31213 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HIF1A Q16665 1/20 0.35
RECQL P46063 2/20 0.34
HSPB1 P04792 1/20 0.34
HTT P42858 1/20 0.34
CLPP Q16740 2/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL2923101 1.00 LMNA (0.39) LMNAALDH1A1MAPTSRD5A2L3MBTL1
SCHEMBL1496810 1.00 LMNA (0.39) LMNAALDH1A1MAPTSRD5A2L3MBTL1
SCHEMBL1496673 0.87 ALDH1A1 (0.40) LMNAALDH1A1MAPTSRD5A2L3MBTL1
SCHEMBL10433795 0.86 TDP1 (0.38) LMNAALDH1A1MAPTSRD5A2L3MBTL1
SCHEMBL10434223 0.86 TDP1 (0.38) LMNAALDH1A1MAPTSRD5A2L3MBTL1
SCHEMBL10433794 0.86 TDP1 (0.38) LMNAALDH1A1MAPTSRD5A2L3MBTL1
SCHEMBL10918401 0.85 L3MBTL1 (0.39) LMNAALDH1A1MAPTL3MBTL1GAA
SCHEMBL1496747 0.84 L3MBTL1 (0.40) LMNAALDH1A1L3MBTL1ATMTDP1
SCHEMBL10434023 0.84 ATM (0.35) LMNAALDH1A1MAPTSRD5A2ATM
SCHEMBL10434021 0.84 ATM (0.35) LMNAALDH1A1MAPTSRD5A2ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7189847-B2 Process for producing benzoxazine derivative and production intermediate thereof DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-13 US disclosed
EP-0322815-B1 Propoxybenzene derivatives and process for preparing the same DAIICHI SEIYAKU CO (JP) 1996-05-15 EP disclosed
US-5312999-A Propoxybenzene derivatives and process for preparing the same DAIICHI SEIYAKU CO., LTD. (JP) 1994-05-17 US disclosed
US-5136059-A PROPOXYBENZENE DERIVATIVES AND PROCESS FOR PREPARING THE SAME DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1992-08-04 US disclosed
EP-0368410-A2 Optically active benzoxazines and bezothiazines and a process for their stereospecific preparation GIST-BROCADES N.V. (NL) 1990-05-16 EP disclosed
EP-0322815-A2 Propoxybenzene derivatives and process for preparing the same DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1989-07-05 EP disclosed