SCHEMBL1048227

SCHEMBL1048227

CCOC(=O)c1cn(C(COC2CCCCO2)C(C)C)c2cc(F)c(Cc3cccc(Cl)c3F)cc2c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METTL3 Q86U44 1/20 0.50
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 5/20 0.36
HPGD P15428 4/20 0.36
HSD17B10 Q99714 2/20 0.36
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 2/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
POLB P06746 2/20 0.33
TSHR P16473 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MDM4 O15151 2/20 0.33
MDM2 Q00987 2/20 0.33
TP53 P04637 1/20 0.33
CMA1 P23946 1/20 0.32
ADRB2 P07550 1/20 0.32
CYP2C19 P33261 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL1050745 1.00 METTL3 (0.50) METTL3ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL12960113 0.93 METTL3 (0.48) METTL3ALDH1A1KDM4EPOLBTSHR
SCHEMBL12960096 0.92 METTL3 (0.60) METTL3ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL1048231 0.92 METTL3 (0.60) METTL3ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL1050734 0.85 METTL3 (0.72) METTL3MAPTPOLBMDM2TP53
SCHEMBL1052890 0.85 METTL3 (0.72) METTL3MAPTPOLBMDM2TP53
SCHEMBL11948614 0.84 METTL3 (0.58) METTL3ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL16850607 0.84 METTL3 (0.58) METTL3ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL17549681 0.84 METTL3 (0.68) METTL3ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL16385502 0.84 METTL3 (0.68) METTL3ALDH1A1KDM4EHPGDHSD17B10

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
WO-2011004389-A2 AN IMPROVED PROCESS FOR THE PREPARATION OF ELVITEGRAVIR MATRIX LABORATORIES LTD (IN) 2011-01-13 WO disclosed