SCHEMBL4090064

SCHEMBL4090064

CCC(CC)(CO)Nc1nc2c(s1)CCc1cc(C#N)ccc1-2.CCC1(CC)COC(=O)N1c1nc2c(s1)CCc1cc(C#N)ccc1-2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CG P48736 1/20 0.34
MAPT P10636 6/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
TP53 P04637 2/20 0.33
ALOX5 P09917 1/20 0.32
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
KMT2A Q03164 2/20 0.32
RAB9A P51151 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL4076372 0.88 PIK3CD (0.37) PIK3CDPIK3CAPIK3CGMAPTSMN1; SMN2
SCHEMBL4484753 0.84 MAPT (0.40) MAPTSMN1; SMN2TP53ALOX5KDM4E
SCHEMBL3971582 0.78 MAPT (0.35) MAPTSMN1; SMN2TP53ALOX5KDM4E
SCHEMBL4073483 0.77 PIK3CD (0.46) PIK3CDPIK3CAPIK3CGMAPTSMN1; SMN2
SCHEMBL4075677 0.74 MAPT (0.41) MAPTSMN1; SMN2TP53ALOX5KDM4E
SCHEMBL3170904 0.60 KMT2A (0.52) MAPTKDM4EMEN1KMT2ALMNA
SCHEMBL3166865 0.55 MAOA (0.54) MAPTKDM4EMEN1KMT2A
SCHEMBL4086084 0.54 PIK3CD (0.38) PIK3CDPIK3CAPIK3CGMAPTALOX5
SCHEMBL12063336 0.53 MIF (0.52)
SCHEMBL4116817 0.53 MAP3K14 (0.48) PIK3CDPIK3CA

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