SCHEMBL4711230

SCHEMBL4711230

CC(=O)Oc1c(/C=C/c2cccc(C)n2)cccc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 14/20 0.54
MAPT P10636 13/20 0.54
MEN1 O00255 13/20 0.54
SMN1; SMN2 Q16637 7/20 0.54
LMNA P02545 4/20 0.54
NPSR1 Q6W5P4 3/20 0.54
AGTR1 P30556 1/20 0.54
TDP1 Q9NUW8 2/20 0.47
ALDH1A1 P00352 8/20 0.46
POLB P06746 2/20 0.46
HPGD P15428 2/20 0.46
NPC1 O15118 9/20 0.46
RAB9A P51151 8/20 0.46
MAPK1 P28482 2/20 0.46
KDM4E B2RXH2 2/20 0.46
HTT P42858 3/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP1A2 P05177 1/20 0.45

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
SCHEMBL4711234 1.00 KMT2A (0.54) KMT2AMAPTMEN1SMN1; SMN2LMNA
SCHEMBL4710359 0.80 MEN1 (0.69) KMT2AMAPTMEN1SMN1; SMN2LMNA
SCHEMBL4710358 0.80 MEN1 (0.69) KMT2AMAPTMEN1SMN1; SMN2LMNA
SCHEMBL4710779 0.77 MEN1 (0.49) KMT2AMAPTMEN1SMN1; SMN2LMNA
SCHEMBL4710778 0.77 MEN1 (0.49) KMT2AMAPTMEN1SMN1; SMN2LMNA
SCHEMBL4712500 0.77 MAPT (0.48) KMT2AMAPTMEN1SMN1; SMN2LMNA
SCHEMBL4712501 0.77 MAPT (0.48) KMT2AMAPTMEN1SMN1; SMN2LMNA
SCHEMBL4715311 0.76 MEN1 (0.52) KMT2AMAPTMEN1SMN1; SMN2LMNA
SCHEMBL4715307 0.76 MEN1 (0.52) KMT2AMAPTMEN1SMN1; SMN2LMNA
SCHEMBL4710786 0.74 MEN1 (0.54) KMT2AMAPTMEN1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0998459-B1 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 2008-04-23 EP claimed
EP-0998459-B1 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 2008-04-23 EP disclosed