SCHEMBL5203894

SCHEMBL5203894

COc1cc(OB(O)O)cc(OC)c1C(=O)N(C)OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.38
USP2 O75604 2/20 0.38
MAPK1 P28482 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ABCG2 Q9UNQ0 5/20 0.38
CLK1 P49759 1/20 0.38
DYRK1A Q13627 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
NFKB1 P19838 2/20 0.33
NFKB2 Q00653 2/20 0.33
RELA Q04206 2/20 0.33
DPP4 P27487 1/20 0.33
KMT2A Q03164 5/20 0.33
MAPT P10636 4/20 0.33
TP53 P04637 2/20 0.33
ATM Q13315 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 3/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 2/20 0.32

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
SCHEMBL6339071 0.81 CLK1 (0.36) CYP3A4USP2MAPK1SMN1; SMN2ABCG2
SCHEMBL5205321 0.77 CLK1 (0.38) CYP3A4USP2MAPK1SMN1; SMN2ABCG2
SCHEMBL5203369 0.73 MEN1 (0.33) CYP3A4USP2MAPK1SMN1; SMN2KMT2A
SCHEMBL5208618 0.72 USP2 (0.38) CYP3A4USP2MAPK1SMN1; SMN2ABCG2
SCHEMBL18131710 0.70 NFE2L2 (0.39) CYP3A4MAPK1SMN1; SMN2CLK1DYRK1A
SCHEMBL5207796 0.70 CYP3A4 (0.52) CYP3A4KMT2AMAPTMEN1
SCHEMBL6628469 0.70 RXFP1 (0.39) CYP3A4USP2MAPK1SMN1; SMN2KMT2A
SCHEMBL28905844 0.69 BRD9 (0.46) KMT2AMAPTMEN1ALDH1A1
SCHEMBL5206460 0.69 CA12 (0.35) CYP3A4USP2MAPK1SMN1; SMN2KMT2A
SCHEMBL5206042 0.69 CA12 (0.35) CYP3A4USP2MAPK1SMN1; SMN2MAPT

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-1403251-B1 BIS(2-ARYL-5-PYRIDYL) DERIVATIVE KOWA CO (JP) 2007-07-18 EP disclosed
EP-1403251-A1 BIS(2-ARYL-5-PYRIDYL) DERIVATIVE Kowa Co., Ltd. (JP) 2004-03-31 EP disclosed