SCHEMBL4711297

SCHEMBL4711297

CC(=O)Oc1cccnc1C=Cc1cc(Cl)ccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
TDP1 Q9NUW8 3/20 0.48
CYP3A4 P08684 1/20 0.48
ALOX12 P18054 1/20 0.48
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
LMNA P02545 4/20 0.47
RAB9A P51151 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
NPSR1 Q6W5P4 3/20 0.47
MAPT P10636 3/20 0.47
HPGD P15428 3/20 0.47
NPC1 O15118 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
TP53 P04637 1/20 0.47
NFKB1 P19838 1/20 0.47
MAPK1 P28482 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
ALDH1A1 P00352 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
SCHEMBL4790285 0.86 NFE2L2 (0.48) KDM4ETDP1CYP3A4ALOX12KMT2A
SCHEMBL4790286 0.86 NFE2L2 (0.48) KDM4ETDP1CYP3A4ALOX12KMT2A
SCHEMBL4714220 0.81 KDM4E (0.45) KDM4ETDP1CYP3A4ALOX12KMT2A
SCHEMBL4714219 0.81 KDM4E (0.45) KDM4ETDP1CYP3A4ALOX12KMT2A
SCHEMBL3097025 0.69 MEN1 (0.54) KDM4ETDP1CYP3A4KMT2AMEN1
SCHEMBL3097012 0.69 MEN1 (0.54) KDM4ETDP1CYP3A4KMT2AMEN1
SCHEMBL13647052 0.69 MEN1 (0.54) KDM4ETDP1CYP3A4KMT2AMEN1
SCHEMBL1622556 0.69 KDM4E (0.58) KDM4ETDP1CYP3A4ALOX12KMT2A
SCHEMBL3737609 0.69 ABCB11 (0.49) KDM4ETDP1CYP3A4ALOX12KMT2A
SCHEMBL28188355 0.69 ABCB11 (0.49) KDM4ETDP1CYP3A4ALOX12KMT2A

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

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