SCHEMBL8129019

SCHEMBL8129019

O=C1CCCN1C1=NC(CF)(CF)Oc2ccc([N+](=O)[O-])cc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.37
MEN1 O00255 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
POLB P06746 1/20 0.37
APEX1 P27695 1/20 0.37
CASP6 P55212 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
RAB9A P51151 1/20 0.36
NR1H4 Q96RI1 1/20 0.34
GAA P10253 2/20 0.34
KDM4E B2RXH2 2/20 0.34
MALT1 Q9UDY8 1/20 0.33
ALDH1A1 P00352 4/20 0.33
NCOA1 Q15788 1/20 0.33
HTT P42858 2/20 0.32
CYP3A4 P08684 1/20 0.32
HTR1A P08908 1/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 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
SCHEMBL9372884 0.85 CASP6 (0.39) KMT2AMEN1TDP1POLBAPEX1
SCHEMBL9372313 0.82 CASP6 (0.39) KMT2AMEN1TDP1POLBAPEX1
SCHEMBL8120777 0.78 CASP6 (0.37) KMT2AMEN1TDP1POLBAPEX1
SCHEMBL8123714 0.76 CASP6 (0.37) KMT2AMEN1TDP1POLBAPEX1
SCHEMBL8121276 0.74 HSD17B10 (0.37) KMT2AMEN1TDP1KDM4EALDH1A1
SCHEMBL8129023 0.73 KMT2A (0.37) KMT2AMEN1TDP1POLBAPEX1
SCHEMBL10757454 0.73 CASP6 (0.40) KMT2AMEN1TDP1POLBAPEX1
SCHEMBL8345414 0.73 MALT1 (0.39) KMT2AMEN1TDP1POLBAPEX1
SCHEMBL9147582 0.72 KMT2A (0.40) KMT2AMEN1TDP1POLBAPEX1
SCHEMBL9846738 0.72 LMNA (0.33) KMT2AMEN1RAB9AALDH1A1HTT

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