SCHEMBL541499

SCHEMBL541499

O=C(O)Oc1cn(C2CC2)c2cc(N3CCC(O)(COc4ccc(N5C[C@H](COP(=O)(O)O)OC5=O)cc4F)CC3)c(F)cc2c1=O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 4/20 0.38
LMNA P02545 3/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
MAPT P10636 1/20 0.38
TOP2B Q02880 2/20 0.38
CYP1A2 P05177 1/20 0.38
TOP2A P11388 1/20 0.38
CYP2C9 P11712 1/20 0.38
MAOB P27338 2/20 0.37
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PIK3CG P48736 2/20 0.36
HRH3 Q9Y5N1 1/20 0.36

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 0.93 KDM4E (0.47) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL541407 0.93 KDM4E (0.47) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL541619 0.91 KDM4E (0.42) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL541386 0.89 TOP2B (0.39) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL2478238 0.88 TOP2B (0.51) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL541523 0.87 KDM4E (0.40) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL541780 0.87 KDM4E (0.40) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL10317154 0.87 KDM4E (0.40) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL541581 0.86 KDM4E (0.40) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL28784105 0.85 KDM4E (0.48) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2086968-B1 5-HYDROXYMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2012-02-08 EP claimed