SCHEMBL4710053

SCHEMBL4710053

CC(=O)Oc1ccc(C)nc1/C=C/c1ccccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.44
MEN1 O00255 8/20 0.44
RAB9A P51151 6/20 0.44
MAPT P10636 6/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
NPC1 O15118 4/20 0.44
KDM4E B2RXH2 4/20 0.44
NPSR1 Q6W5P4 4/20 0.44
LMNA P02545 3/20 0.44
TDP1 Q9NUW8 3/20 0.44
HPGD P15428 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MAPK1 P28482 2/20 0.44
TP53 P04637 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
ALDH1A1 P00352 3/20 0.43
HTT P42858 2/20 0.43
POLB P06746 2/20 0.43

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
SCHEMBL4710055 1.00 KMT2A (0.44) KMT2AMEN1RAB9AMAPTSMN1; SMN2
SCHEMBL4714730 0.83 CYP19A1 (0.46) KMT2AMEN1RAB9AMAPTSMN1; SMN2
SCHEMBL4714726 0.83 CYP19A1 (0.46) KMT2AMEN1RAB9AMAPTSMN1; SMN2
SCHEMBL4713003 0.81 PTGDR2 (0.45) KMT2AMEN1RAB9AMAPTSMN1; SMN2
SCHEMBL4710664 0.81 PTGDR2 (0.45) KMT2AMEN1RAB9AMAPTSMN1; SMN2
SCHEMBL4790286 0.81 NFE2L2 (0.48) KMT2AMEN1RAB9AMAPTSMN1; SMN2
SCHEMBL4790285 0.81 NFE2L2 (0.48) KMT2AMEN1RAB9AMAPTSMN1; SMN2
SCHEMBL4711585 0.80 USP2 (0.49) KMT2AMEN1RAB9AMAPTSMN1; SMN2
SCHEMBL4711587 0.80 USP2 (0.49) KMT2AMEN1RAB9AMAPTSMN1; SMN2
SCHEMBL4710366 0.79 LMNA (0.42) KMT2AMEN1RAB9AMAPTSMN1; SMN2

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