SCHEMBL8316461

SCHEMBL8316461

COCC1(C)C=C(C(=O)N(C)C)c2cc([N+](=O)[O-])ccc2O1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
AKR1B1 P15121 2/20 0.36
KMT2A Q03164 2/20 0.35
HTT P42858 1/20 0.35
GAA P10253 1/20 0.34
HKDC1 Q2TB90 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NR3C1 P04150 1/20 0.33
PGR P06401 1/20 0.33
NR3C2 P08235 1/20 0.33
AR P10275 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CHRM2 P08172 1/20 0.32
HTR1A P08908 1/20 0.32
ADRA2A P08913 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
SCHEMBL8316194 0.88 ALDH1A1 (0.33) L3MBTL1AKR1B1KMT2AHTTGAA
SCHEMBL8314877 0.87 MEN1 (0.36) AKR1B1KMT2AHTTGAAMEN1
SCHEMBL8312522 0.82 ALDH1A1 (0.36) L3MBTL1AKR1B1KMT2AHTTMEN1
SCHEMBL8315152 0.80 EGFR (0.30) AKR1B1KMT2AMEN1ALDH1A1
SCHEMBL8313666 0.77 TBXA2R (0.31) AKR1B1KMT2AMEN1ALDH1A1NR3C1
SCHEMBL8313587 0.76 L3MBTL1 (0.41) L3MBTL1AKR1B1KMT2AHTTHKDC1
SCHEMBL8314879 0.76 MEN1 (0.36) AKR1B1KMT2AHTTGAAMEN1
SCHEMBL8794145 0.74 TP53 (0.38) L3MBTL1AKR1B1KMT2AHTTALDH1A1
SCHEMBL8315687 0.74 AKR1B1 (0.41) AKR1B1KMT2AHTTMEN1ALDH1A1
SCHEMBL8314382 0.73 AKR1B1 (0.37) AKR1B1KMT2AGAAMEN1ALDH1A1

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-0632033-B1 NOVEL BENZOPYRAN DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 1999-04-07 EP disclosed
US-5646308-A POTASSIUM CHANNEL ACTIVATORS USED AS ANTIASTHMATICS, ANTIEPILEPTICS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1997-07-08 US disclosed
EP-0632033-A1 NOVEL BENZOPYRAN DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1995-01-04 EP disclosed