SCHEMBL8795239

SCHEMBL8795239

CN=C(C1=CC(C)(C)Oc2ccc([N+](=O)[O-])cc21)N(C)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.36
POLB P06746 1/20 0.36
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA7 P43166 2/20 0.35
CA9 Q16790 2/20 0.35
NR3C1 P04150 1/20 0.34
PGR P06401 1/20 0.34
NR3C2 P08235 1/20 0.34
AR P10275 1/20 0.34
ALDH1A1 P00352 2/20 0.33
CYP3A4 P08684 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
AKR1B1 P15121 1/20 0.33
MAPT P10636 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HSP90AA1 P07900 1/20 0.33
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
NCOA1 Q15788 1/20 0.33

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
SCHEMBL8793993 0.87 EGFR (0.34) POLBCA1CA2CA7CA9
SCHEMBL8794942 0.87 ALDH1A1 (0.34) GAAPOLBCA1CA2CA7
SCHEMBL8795502 0.86 POLB (0.35) POLBCA1CA2CA7CA9
SCHEMBL8795244 0.85 POLB (0.36) POLBCA1CA2CA7CA9
SCHEMBL8794947 0.81 L3MBTL1 (0.36) GAAPOLBCA1CA2CA7
SCHEMBL8793999 0.81 EGFR (0.34) POLBCA1CA2CA7CA9
SCHEMBL29442980 0.81 EGFR (0.34) POLBCA1CA2CA7CA9
SCHEMBL8795506 0.80 POLB (0.36) GAAPOLBCA1CA2CA7
SCHEMBL9566804 0.80 MAPT (0.36) POLBCA1CA2CA7CA9
SCHEMBL8796400 0.80 ALDH1A1 (0.38) GAAPOLBCA1CA2CA7

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