SCHEMBL28784105

SCHEMBL28784105

O=C(O)c1cn(C2CC2)c2cc(N3CCC(O)(COc4ccc(N5C[C@H](CP(=O)(O)O)OC5=O)cc4F)CC3)c(F)cc2c1=O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 4/20 0.48
LMNA P02545 3/20 0.48
HPGD P15428 2/20 0.48
HSD17B10 Q99714 2/20 0.48
MAPT P10636 1/20 0.48
CYP1A2 P05177 1/20 0.48
TOP2A P11388 1/20 0.48
CYP2C9 P11712 1/20 0.48
TOP2B Q02880 1/20 0.48
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PIK3CG P48736 5/20 0.44
HRH3 Q9Y5N1 1/20 0.44
PIK3CD O00329 3/20 0.43
PIK3R1 P27986 3/20 0.43
PIK3CA P42336 3/20 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
SCHEMBL541408 0.92 KDM4E (0.47) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL541407 0.92 KDM4E (0.47) KDM4EALDH1A1LMNAHPGDHSD17B10
Cadazolid SCHEMBL29379581 0.92 KDM4E (0.52) KDM4EALDH1A1LMNAHPGDHSD17B10
Cadazolid SCHEMBL541681 0.92 KDM4E (0.52) KDM4EALDH1A1LMNAHPGDHSD17B10
Cadazolid SCHEMBL541618 0.92 KDM4E (0.52) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL21074700 0.90 KDM4E (0.43) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL702285 0.89 TOP2B (0.52) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL29433777 0.89 TOP2B (0.52) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL541524 0.88 KDM4E (0.49) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL541522 0.88 KDM4E (0.49) KDM4EALDH1A1LMNAHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101535305-A 5-hydroxymethyl-oxazolidin-2-one derivatives ACTELION PHARMACEUTICALS LTD (CH) 2009-09-16 CN claimed
CN-101535305-B 5-hydroxymethyl-oxazolidin-2-one derivatives ACTELION PHARMACEUTICALS LTD 2013-09-18 CN disclosed
CN-101535305-A 5-hydroxymethyl-oxazolidin-2-one derivatives ACTELION PHARMACEUTICALS LTD (CH) 2009-09-16 CN disclosed