SCHEMBL4710440

SCHEMBL4710440

CC(=O)Oc1ccc(C)nc1C=Cc1cc(Cl)cc(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
MAPT P10636 4/20 0.40
KDM4E B2RXH2 3/20 0.40
LMNA P02545 3/20 0.40
HPGD P15428 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
TP53 P04637 2/20 0.40
NFKB1 P19838 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MAPK1 P28482 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HTT P42858 2/20 0.39

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
SCHEMBL4710439 1.00 KMT2A (0.40) KMT2AMEN1MAPTKDM4ELMNA
SCHEMBL4789552 0.89 CYP1A2 (0.43) KMT2AMEN1MAPTKDM4ELMNA
SCHEMBL4789553 0.89 CYP1A2 (0.43) KMT2AMEN1MAPTKDM4ELMNA
SCHEMBL4710365 0.88 LMNA (0.42) KMT2AMEN1MAPTKDM4ELMNA
SCHEMBL4710366 0.88 LMNA (0.42) KMT2AMEN1MAPTKDM4ELMNA
SCHEMBL4711138 0.82 AHR (0.49) MAPTKDM4ENPSR1RAB9AMAPK1
SCHEMBL4711139 0.82 AHR (0.49) MAPTKDM4ENPSR1RAB9AMAPK1
SCHEMBL4712582 0.79 KMT2A (0.50) KMT2AMEN1MAPTKDM4ELMNA
SCHEMBL4712583 0.79 KMT2A (0.50) KMT2AMEN1MAPTKDM4ELMNA
SCHEMBL4714220 0.79 KDM4E (0.45) KMT2AMEN1MAPTKDM4ELMNA

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