SCHEMBL4714501

SCHEMBL4714501

CC(=O)Oc1ccc(Cl)cc1/C=C/c1cccc(C)n1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 12/20 0.68
KMT2A Q03164 12/20 0.68
RAB9A P51151 9/20 0.68
NPC1 O15118 8/20 0.68
MAPT P10636 7/20 0.68
HPGD P15428 6/20 0.68
NPSR1 Q6W5P4 5/20 0.68
LMNA P02545 4/20 0.68
KDM4E B2RXH2 4/20 0.68
SMN1; SMN2 Q16637 4/20 0.68
TDP1 Q9NUW8 3/20 0.68
MAPK1 P28482 3/20 0.68
NFKB1 P19838 2/20 0.68
TP53 P04637 2/20 0.68
NFKB2 Q00653 1/20 0.68
RELA Q04206 1/20 0.68
L3MBTL1 Q9Y468 1/20 0.68
ALDH1A1 P00352 8/20 0.64
POLB P06746 4/20 0.64
HTT P42858 3/20 0.64

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
SCHEMBL4714503 1.00 MEN1 (0.68) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL4713486 0.85 MEN1 (0.51) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL4713488 0.85 MEN1 (0.51) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL4715311 0.83 MEN1 (0.52) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL4715307 0.83 MEN1 (0.52) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL4710779 0.81 MEN1 (0.49) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL4710778 0.81 MEN1 (0.49) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL13646963 0.78 MEN1 (0.61) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL4713161 0.78 MEN1 (0.67) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL4713163 0.78 MEN1 (0.67) MEN1KMT2ARAB9ANPC1MAPT

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 4 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-A2 PYRIDINE DERIVATIVES Novartis AG (CH) 2000-05-10 EP claimed
WO-1999002497-A2 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 1999-01-21 WO claimed
EP-0998459-B1 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 2008-04-23 EP disclosed