SCHEMBL8130646

SCHEMBL8130646

O=C1NC(C(F)F)Oc2ccc([N+](=O)[O-])cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
CYP3A4 P08684 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CAPN9 O14815 1/20 0.41
CASP3 P42574 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 2/20 0.41
PTPRC P08575 3/20 0.41
S100A4 P26447 2/20 0.41
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
CES1 P23141 1/20 0.40
ADRA2A P08913 1/20 0.39
PNMT P11086 1/20 0.39
GRIA1 P42261 1/20 0.38
GRIA2 P42262 1/20 0.38
GRIA3 P42263 1/20 0.38

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
SCHEMBL29634305 0.79 KDM4E (0.49) KDM4ECYP3A4TDP1CAPN9CASP3
SCHEMBL28528674 0.79 KDM4E (0.49) KDM4ECYP3A4TDP1CAPN9CASP3
SCHEMBL29634172 0.76 KDM4E (0.46) KDM4ECYP3A4TDP1CAPN9CASP3
SCHEMBL28533975 0.76 KDM4E (0.46) KDM4ECYP3A4TDP1CAPN9CASP3
SCHEMBL29634299 0.75 KDM4E (0.45) KDM4ECYP3A4TDP1CAPN9CASP3
SCHEMBL28525296 0.75 KDM4E (0.45) KDM4ECYP3A4TDP1CAPN9CASP3
SCHEMBL6266916 0.73 KMT2A (0.55) KDM4ECYP3A4TDP1CAPN9CASP3
SCHEMBL28523595 0.73 KDM4E (0.44) KDM4ECYP3A4TDP1CAPN9CASP3
SCHEMBL29634280 0.73 KDM4E (0.44) KDM4ECYP3A4TDP1CAPN9CASP3
SCHEMBL29634193 0.72 KDM4E (0.43) KDM4ECYP3A4TDP1CAPN9CASP3

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