SCHEMBL4712583

SCHEMBL4712583

CC(=O)Oc1ccc(C=Cc2cc(Cl)cc(Cl)c2)nc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.50
MEN1 O00255 6/20 0.50
MAPT P10636 5/20 0.50
HPGD P15428 4/20 0.50
RAB9A P51151 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
LMNA P02545 4/20 0.50
KDM4E B2RXH2 4/20 0.50
NPSR1 Q6W5P4 3/20 0.50
NPC1 O15118 3/20 0.50
TDP1 Q9NUW8 3/20 0.50
TP53 P04637 3/20 0.50
NFKB1 P19838 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
MAPK1 P28482 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
ALDH1A1 P00352 5/20 0.44
HTT P42858 2/20 0.44
POLB P06746 2/20 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
SCHEMBL4712582 1.00 KMT2A (0.50) KMT2AMEN1MAPTHPGDRAB9A
SCHEMBL4712633 0.89 MEN1 (0.53) KMT2AMEN1MAPTHPGDRAB9A
SCHEMBL4712632 0.89 MEN1 (0.53) KMT2AMEN1MAPTHPGDRAB9A
SCHEMBL4715315 0.88 MEN1 (0.51) KMT2AMEN1MAPTHPGDRAB9A
SCHEMBL4715316 0.88 MEN1 (0.51) KMT2AMEN1MAPTHPGDRAB9A
SCHEMBL4712605 0.82 KMT2A (0.49) KMT2AMEN1MAPTHPGDRAB9A
SCHEMBL4712607 0.82 KMT2A (0.49) KMT2AMEN1MAPTHPGDRAB9A
SCHEMBL4712888 0.82 APP (0.49) KMT2AMEN1RAB9ANPC1APP
SCHEMBL4712891 0.82 APP (0.49) KMT2AMEN1RAB9ANPC1APP
SCHEMBL4710440 0.79 KMT2A (0.40) KMT2AMEN1MAPTHPGDRAB9A

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