SCHEMBL6954033

SCHEMBL6954033

COC(=O)C1=C(C)NC(C)=C(C(=O)OCC2CCCO2)C1c1cccc(NC(C)=O)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.76
KMT2A Q03164 4/20 0.62
L3MBTL1 Q9Y468 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
NPSR1 Q6W5P4 2/20 0.54
KDM4E B2RXH2 7/20 0.53
ALDH1A1 P00352 6/20 0.53
GAA P10253 4/20 0.51
HSD17B10 Q99714 3/20 0.50
RAB9A P51151 2/20 0.50
HTT P42858 2/20 0.50
HPGD P15428 3/20 0.49
TSHR P16473 2/20 0.49
CASP1 P29466 2/20 0.49
CASP7 P55210 2/20 0.49
MAPK1 P28482 1/20 0.49
RAD52 P43351 1/20 0.48
GLA P06280 1/20 0.48
MEN1 O00255 2/20 0.48
LMNA P02545 1/20 0.48

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
SCHEMBL6958389 0.87 POLB (0.81) POLBKMT2AL3MBTL1SMN1; SMN2NPSR1
SCHEMBL6955155 0.86 POLB (0.80) POLBKMT2AL3MBTL1SMN1; SMN2NPSR1
SCHEMBL6959316 0.86 POLB (0.80) POLBKMT2AL3MBTL1SMN1; SMN2NPSR1
SCHEMBL6956017 0.86 POLB (0.79) POLBKMT2AL3MBTL1SMN1; SMN2NPSR1
SCHEMBL6947789 0.85 POLB (0.77) POLBKMT2AL3MBTL1SMN1; SMN2NPSR1
SCHEMBL6960340 0.84 POLB (0.76) POLBKMT2AL3MBTL1SMN1; SMN2NPSR1
SCHEMBL7132512 0.83 POLB (0.75) POLBKMT2ATSHRMAPK1MEN1
SCHEMBL9505160 0.83 ADORA3 (0.68) POLBKMT2ASMN1; SMN2NPSR1KDM4E
SCHEMBL6954075 0.82 POLB (0.93) POLBKMT2AL3MBTL1SMN1; SMN2NPSR1
SCHEMBL10666490 0.80 CACNA1F (0.57) POLBKMT2ATSHRMAPK1MEN1

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-1023267-B1 PYRIDYL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CERMOL SA (CH) 2003-09-17 EP disclosed
US-6482841-B1 Pyridyl compounds and pharmaceutical compositions containing them CERMOL S.A. (CH) 2002-11-19 US disclosed
EP-1023267-A1 PYRIDYL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CERMOL S.A. (CH) 2000-08-02 EP disclosed
WO-1999019302-A1 PYRIDYL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CERMOL S.A. (CH) 1999-04-22 WO disclosed