SCHEMBL8314877

SCHEMBL8314877

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
AKR1B1 P15121 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
MAPT P10636 6/20 0.35
ALDH1A1 P00352 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
GAA P10253 2/20 0.34
HTT P42858 3/20 0.34
PKM P14618 1/20 0.34
HIF1A Q16665 3/20 0.34
CYP1A2 P05177 3/20 0.34
CYP3A4 P08684 3/20 0.34
CYP2C9 P11712 3/20 0.34
CYP2C19 P33261 3/20 0.34
LMNA P02545 2/20 0.34
MAPK1 P28482 2/20 0.34
CYP2D6 P10635 2/20 0.34
TSHR P16473 2/20 0.34
NFKB1 P19838 2/20 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
SCHEMBL8314879 0.89 MEN1 (0.36) MEN1KMT2AAKR1B1TDP1MAPT
SCHEMBL8312522 0.88 ALDH1A1 (0.36) MEN1KMT2AAKR1B1TDP1MAPT
SCHEMBL8316461 0.87 L3MBTL1 (0.41) MEN1KMT2AAKR1B1ALDH1A1SMN1; SMN2
SCHEMBL8314382 0.87 AKR1B1 (0.37) MEN1KMT2AAKR1B1TDP1MAPT
SCHEMBL8794716 0.83 MAPT (0.38) MEN1KMT2AAKR1B1TDP1MAPT
SCHEMBL8316194 0.82 ALDH1A1 (0.33) MEN1KMT2AAKR1B1TDP1MAPT
SCHEMBL8311296 0.80 AKR1B1 (0.37) MEN1KMT2AAKR1B1TDP1MAPT
SCHEMBL8313666 0.79 TBXA2R (0.31) MEN1KMT2AAKR1B1MAPTALDH1A1
SCHEMBL8315842 0.78 AKR1B1 (0.35) MEN1KMT2AAKR1B1TDP1MAPT
SCHEMBL8314083 0.77 ALDH1A1 (0.36) MEN1KMT2AAKR1B1TDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5294954-A None JP disclosed
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
JP-H05294954-A NEW BENZOPYRAN DERIVATIVE CHUGAI PHARMACEUT CO LTD 1993-11-09 JP disclosed