SCHEMBL8314879

SCHEMBL8314879

CNC(=O)C1=CC(COC)(COC)Oc2ccc([N+](=O)[O-])cc21

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
AKR1B1 P15121 2/20 0.36
TDP1 Q9NUW8 2/20 0.35
ALDH1A1 P00352 7/20 0.34
POLB P06746 4/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HTT P42858 3/20 0.34
PKM P14618 1/20 0.34
MAPT P10636 5/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
MCL1 Q07820 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
SCHEMBL8314877 0.89 MEN1 (0.36) MEN1KMT2AAKR1B1TDP1ALDH1A1
SCHEMBL8314083 0.88 ALDH1A1 (0.36) MEN1KMT2AAKR1B1TDP1ALDH1A1
SCHEMBL8311296 0.87 AKR1B1 (0.37) MEN1KMT2AAKR1B1TDP1ALDH1A1
SCHEMBL8794716 0.83 MAPT (0.38) MEN1KMT2AAKR1B1TDP1ALDH1A1
SCHEMBL8314382 0.80 AKR1B1 (0.37) MEN1KMT2AAKR1B1TDP1ALDH1A1
SCHEMBL8315842 0.78 AKR1B1 (0.35) MEN1KMT2AAKR1B1TDP1ALDH1A1
SCHEMBL8312522 0.77 ALDH1A1 (0.36) MEN1KMT2AAKR1B1TDP1ALDH1A1
SCHEMBL8316461 0.76 L3MBTL1 (0.41) MEN1KMT2AAKR1B1ALDH1A1SMN1; SMN2
SCHEMBL8312851 0.76 TLR3 (0.38) MEN1KMT2AAKR1B1ALDH1A1SMN1; SMN2
SCHEMBL8315774 0.75 AKR1B1 (0.35) MEN1KMT2AAKR1B1ALDH1A1POLB

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