SCHEMBL8795244

SCHEMBL8795244

CN(C)C(=NO)C1=CC(C)(C)Oc2ccc([N+](=O)[O-])cc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
MAPT P10636 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HSP90AA1 P07900 1/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
NCOA1 Q15788 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
NR3C1 P04150 1/20 0.35
PGR P06401 1/20 0.35
NR3C2 P08235 1/20 0.35
AR P10275 1/20 0.35
ALDH1A1 P00352 3/20 0.34
CYP3A4 P08684 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
AKR1B1 P15121 1/20 0.34

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
SCHEMBL29442980 0.86 EGFR (0.34) POLBMAPTL3MBTL1HSP90AA1CDK5
SCHEMBL8794947 0.86 L3MBTL1 (0.36) POLBMAPTL3MBTL1CA1CA2
SCHEMBL8793999 0.86 EGFR (0.34) POLBMAPTL3MBTL1HSP90AA1CDK5
SCHEMBL8795506 0.85 POLB (0.36) POLBMAPTL3MBTL1CA1CA2
SCHEMBL8795239 0.85 GAA (0.36) POLBMAPTL3MBTL1HSP90AA1CDK5
SCHEMBL8796400 0.83 ALDH1A1 (0.38) POLBL3MBTL1CA1CA2CA7
SCHEMBL8793993 0.81 EGFR (0.34) POLBMAPTL3MBTL1HSP90AA1CDK5
SCHEMBL8794942 0.81 ALDH1A1 (0.34) POLBMAPTL3MBTL1CA1CA2
SCHEMBL8795502 0.80 POLB (0.35) POLBMAPTL3MBTL1CA1CA2
SCHEMBL8308734 0.80 AKR1B1 (0.43) POLBMAPTCA1CA2CA7

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