SCHEMBL9687565

SCHEMBL9687565

O=[N+]([O-])c1cc([N+](=O)[O-])c(CCCCCO)c([N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
KMT2A Q03164 6/20 0.49
MAPK1 P28482 6/20 0.49
MAPT P10636 6/20 0.49
MEN1 O00255 5/20 0.49
HTT P42858 4/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
TDP1 Q9NUW8 4/20 0.48
POLB P06746 1/20 0.47
GPR35 Q9HC97 5/20 0.46
HPGD P15428 2/20 0.44
CYP1A2 P05177 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TTR P02766 1/20 0.44
CYP2C9 P11712 1/20 0.44
ALOX15 P16050 1/20 0.44
ALOX12 P18054 1/20 0.44
RECQL P46063 1/20 0.44
PMP22 Q01453 1/20 0.44
HIF1A Q16665 1/20 0.44

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
SCHEMBL2334452 0.87 CA1 (0.43) ALDH1A1KMT2AMAPK1MAPTMEN1
SCHEMBL5674237 0.85 ALDH1A1 (0.55) ALDH1A1KMT2AMAPK1MAPTMEN1
SCHEMBL95482 0.85 ALDH1A1 (0.53) ALDH1A1KMT2AMAPK1MAPTMEN1
SCHEMBL9687560 0.84 ALDH1A1 (0.50) ALDH1A1KMT2AMAPK1MAPTMEN1
SCHEMBL9318057 0.81 ALDH1A1 (0.59) ALDH1A1KMT2AMAPK1MAPTMEN1
SCHEMBL9027341 0.81 ALDH1A1 (0.54) ALDH1A1KMT2AMAPK1MAPTMEN1
SCHEMBL17780857 0.81 TDP1 (0.47) ALDH1A1L3MBTL1TDP1GPR35KDM4E
SCHEMBL14676050 0.80 CYP1A2 (0.58) ALDH1A1KMT2AMAPK1MAPTMEN1
SCHEMBL14844290 0.80 CYP1A2 (0.58) ALDH1A1KMT2AMAPK1MAPTMEN1
SCHEMBL10960330 0.80 CA1 (0.45) ALDH1A1KMT2AMAPK1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0511879-A1 Pyrazine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-04 EP disclosed