SCHEMBL4713486

SCHEMBL4713486

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 13/20 0.51
KMT2A Q03164 13/20 0.51
NPC1 O15118 8/20 0.50
RAB9A P51151 8/20 0.50
MAPT P10636 7/20 0.50
NPSR1 Q6W5P4 5/20 0.50
LMNA P02545 5/20 0.50
HPGD P15428 5/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
KDM4E B2RXH2 4/20 0.50
TP53 P04637 3/20 0.50
MAPK1 P28482 3/20 0.50
NFKB1 P19838 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
ALDH1A1 P00352 8/20 0.47
POLB P06746 4/20 0.47
HTT P42858 3/20 0.47

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
SCHEMBL4713488 1.00 MEN1 (0.51) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL4714501 0.85 MEN1 (0.68) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL4714503 0.85 MEN1 (0.68) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL4715307 0.83 MEN1 (0.52) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL4715311 0.83 MEN1 (0.52) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL4713647 0.81 MEN1 (0.56) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL4710778 0.81 MEN1 (0.49) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL4710779 0.81 MEN1 (0.49) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL4713645 0.81 MEN1 (0.56) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL4713319 0.78 KMT2A (0.52) MEN1KMT2ANPC1RAB9AMAPT

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