SCHEMBL8794789

SCHEMBL8794789

CN=C(NC#N)C1=CC2(CCCCC2)Oc2ccc([N+](=O)[O-])cc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.35
BCHE P06276 1/20 0.33
MALT1 Q9UDY8 1/20 0.32
EGFR P00533 1/20 0.31
AKR1B1 P15121 2/20 0.31
ALDH1A1 P00352 4/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
NR3C1 P04150 1/20 0.30
PGR P06401 1/20 0.30
NR3C2 P08235 1/20 0.30
AR P10275 1/20 0.30
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
NFKB1 P19838 1/20 0.30
MAPK1 P28482 1/20 0.30
RAB9A P51151 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30

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
SCHEMBL8794786 1.00 MEN1 (0.35) MEN1KMT2APOLBBCHEMALT1
SCHEMBL8316094 0.91 TLR3 (0.35) MEN1KMT2APOLBMALT1EGFR
SCHEMBL8795892 0.86 EGFR (0.34) MEN1KMT2APOLBEGFRAKR1B1
SCHEMBL8795889 0.86 EGFR (0.34) MEN1KMT2APOLBEGFRAKR1B1
SCHEMBL8316173 0.82 EGFR (0.34) EGFRAKR1B1ALDH1A1MAPTMAPK1
SCHEMBL8313666 0.80 TBXA2R (0.31) MEN1KMT2AEGFRAKR1B1ALDH1A1
SCHEMBL8794707 0.79 NR3C1 (0.32) MALT1EGFRAKR1B1ALDH1A1NR3C1
SCHEMBL8796257 0.78 ALDH1A1 (0.36) MEN1KMT2AMALT1AKR1B1ALDH1A1
SCHEMBL8795103 0.76 AKR1B1 (0.34) MEN1KMT2APOLBMALT1EGFR
SCHEMBL8795374 0.76 AKR1B1 (0.34) MEN1KMT2APOLBMALT1EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0541807-B1 NOVEL BENZOPYRAN DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 1997-12-17 EP disclosed
US-5412117-A Potassium channel activators, antiasmatics, antiepileptics CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1995-05-02 US disclosed
EP-0541807-A1 NOVEL BENZOPYRAN DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 1993-05-19 EP disclosed