SCHEMBL4075359

SCHEMBL4075359

CC1(C)COC(=O)N1c1nc(-c2ccc(C#N)cc2)co1.N#Cc1ccc(C(=O)CBr)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.44
MYC P01106 6/20 0.34
KDM4E B2RXH2 3/20 0.33
KMT2A Q03164 2/20 0.33
ATM Q13315 1/20 0.33
TP53 P04637 1/20 0.33
THRB P10828 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
GAA P10253 2/20 0.32
MMP13 P45452 1/20 0.32
HSD11B1 P28845 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 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
SCHEMBL4075313 0.88 TP53 (0.39) KDM4EKMT2ATP53THRBS1PR1
SCHEMBL4078988 0.70 GAA (0.55) KDM4EKMT2AATMGAAMEN1
SCHEMBL4079104 0.68 IDH1 (0.38) KMT2AGAAMEN1MAPT
SCHEMBL6291931 0.68 GSK3B (0.89) GSK3B
SCHEMBL250688 0.66 GSK3B (1.00) GSK3BALDH1A1MAPT
SCHEMBL3971702 0.65 PIK3CD (0.38) KDM4EKMT2AGAAMEN1ALDH1A1
SCHEMBL4086084 0.64 PIK3CD (0.38) KDM4EKMT2AGAAMEN1MAPT
SCHEMBL4077257 0.64 PIK3CD (0.39) KMT2AGAAMEN1MAPT
SCHEMBL3167651 0.62 KMT2A (0.45) KDM4EKMT2AATMGAAMEN1
SCHEMBL3167662 0.62 KMT2A (0.45) KDM4EKMT2AATMGAAMEN1

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-2054410-A2 OXAZOLIDONE DERIVATIVES AS PR MODULATORS Wyeth (US) 2009-05-06 EP disclosed
WO-2008021331-A2 OXAZOLIDONE DERIVATIVES AS PR MODULATORS WYETH (US) 2008-02-21 WO disclosed