SCHEMBL5316100

SCHEMBL5316100

CCOC(=O)c1cc(C#N)c(=O)[nH]c1C.CCOC(=O)c1cc(C#N)c(Cl)nc1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.57
ALDH1A1 P00352 8/20 0.57
MAPT P10636 6/20 0.57
KMT2A Q03164 5/20 0.57
HSD17B10 Q99714 4/20 0.57
MEN1 O00255 4/20 0.57
RXFP1 Q9HBX9 1/20 0.57
GAA P10253 3/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
LMNA P02545 2/20 0.52
POLB P06746 3/20 0.49
NPC1 O15118 1/20 0.49
HPGD P15428 3/20 0.48
ALOX15 P16050 1/20 0.48
CASP1 P29466 1/20 0.48
NPSR1 Q6W5P4 3/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GLA P06280 1/20 0.46

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
SCHEMBL3227432 0.88 KDM4E (0.71) KDM4EALDH1A1MAPTKMT2AHSD17B10
SCHEMBL3227136 0.87 MAPT (0.72) KDM4EALDH1A1MAPTKMT2AHSD17B10
SCHEMBL4874531 0.79 KDM4E (0.60) KDM4EALDH1A1MAPTKMT2AHSD17B10
SCHEMBL30782359 0.78 KDM4E (0.63) KDM4EALDH1A1MAPTKMT2AHSD17B10
SCHEMBL2225084 0.78 KDM4E (0.63) KDM4EALDH1A1MAPTKMT2AHSD17B10
SCHEMBL4109638 0.76 L3MBTL1 (0.57) KDM4EALDH1A1MAPTKMT2AHSD17B10
SCHEMBL10746252 0.75 ALDH1A1 (0.56) KDM4EALDH1A1MAPTKMT2AMEN1
SCHEMBL4736378 0.75 KDM4E (0.53) KDM4EALDH1A1MAPTHSD17B10GAA
SCHEMBL2227187 0.75 GAA (0.69) KDM4EALDH1A1KMT2AHSD17B10GAA
SCHEMBL5592386 0.75 P2RY12 (0.63) KDM4EP2RY12CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1836189-A1 NOVEL PYRIDINE COMPOUNDS AstraZeneca AB (SE) 2007-09-26 EP disclosed
WO-2006073361-A1 NOVEL PYRIDINE COMPOUNDS ASTRAZENECA AB (SE) 2006-07-13 WO disclosed