SCHEMBL8135352

SCHEMBL8135352

O=[N+]([O-])c1ccc2c(c1)C(OS(=O)(=O)C(F)(F)F)=CC(CF)(CF)O2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
PTPRC P08575 3/20 0.33
S100A4 P26447 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
MCL1 Q07820 1/20 0.33
CAPN9 O14815 1/20 0.32
CASP3 P42574 1/20 0.32
CHRM1 P11229 1/20 0.32
AKR1B1 P15121 1/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP3A4 P08684 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PTGS2 P35354 2/20 0.31
BCHE P06276 1/20 0.31
ACHE P22303 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
SCHEMBL8120919 0.84 PDE4A (0.37) PDE4APDE4CPDE4DPTPRCS100A4
SCHEMBL7034282 0.82 PTGDR2 (0.31) CHRM1PTGS2PTGDR2
SCHEMBL8137883 0.79 PTGS2 (0.34) PDE4APDE4CPDE4DMEN1KMT2A
SCHEMBL8124667 0.77 PDE4A (0.35) PDE4APDE4CPDE4DPTPRCS100A4
SCHEMBL5827934 0.75 PTPRC (0.36) PDE4APDE4CPDE4DPTPRCS100A4
SCHEMBL8771651 0.75 PTPRC (0.38) PDE4APDE4CPDE4DPTPRCS100A4
SCHEMBL6270429 0.75 AKR1B1 (0.40) PTPRCS100A4MEN1KMT2AMAPT
SCHEMBL6267696 0.72 EGFR (0.38) PTPRCS100A4MEN1KMT2AKDM4E
SCHEMBL8134324 0.71 KMT2A (0.38) PTPRCS100A4MEN1KMT2AKDM4E
SCHEMBL8121742 0.70 CTSL (0.37) PTPRCS100A4MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0655448-B1 BENZOPYRAN AND BENZOXAZINE DERIVATIVES CHUGAI PHARMACEUTICAL CO LTD (JP) 2000-04-12 EP disclosed
US-5977167-A Benzopyran and benzoxazine derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1999-11-02 US disclosed
US-5874446-A ANTIASTHMATICS, ANTIEPILEPSY AGENTS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1999-02-23 US disclosed
US-5614633-A POTASSIUM CHANNEL ACTIVATOR CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1997-03-25 US disclosed
EP-0655448-A1 BENZOPYRAN AND BENZOXAZINE DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1995-05-31 EP disclosed