SCHEMBL8122964

SCHEMBL8122964

O=[N+]([O-])c1ccc2c(c1)C(c1cccc[n+]1[O-])=CC(CF)(CF)O2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 2/20 0.37
ABCC8 Q09428 2/20 0.37
KCNJ11 Q14654 2/20 0.37
KCNJ8 Q15842 2/20 0.37
ALDH1A1 P00352 2/20 0.33
PTPRC P08575 3/20 0.33
S100A4 P26447 2/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
CES1 P23141 1/20 0.33
PKM P14618 1/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
CHRM2 P08172 1/20 0.32
HTR1A P08908 1/20 0.32
ADRA2A P08913 1/20 0.32
DRD1 P21728 1/20 0.32
PTGS1 P23219 1/20 0.32
SLC6A4 P31645 1/20 0.32
DRD3 P35462 1/20 0.32

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
SCHEMBL8121279 0.83 ABCC9 (0.41) ABCC9ABCC8KCNJ11KCNJ8ALDH1A1
SCHEMBL8138801 0.82 ABCC9 (0.35) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL8123191 0.81 ABCC9 (0.45) ABCC9ABCC8KCNJ11KCNJ8ALDH1A1
SCHEMBL8130002 0.80 ABCC9 (0.53) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL8133381 0.79 ABCC9 (0.56) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL8128436 0.78
SCHEMBL8121571 0.77 MAPT (0.40) ALDH1A1MEN1KMT2AMAPTMITF
SCHEMBL8130844 0.77 ABCC9 (0.49) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL8123704 0.74 LMNA (0.35) ALDH1A1PTPRCS100A4MEN1KMT2A
SCHEMBL9476372 0.73 L3MBTL1 (0.36) ALDH1A1PTPRCS100A4BCHEACHE

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