SCHEMBL4404872

SCHEMBL4404872

COc1ccc(COC(=O)Nc2ccn(N(CCNS(=O)(=O)c3nc4ccccc4s3)C(C(C)=O)C(=O)O)c(=O)n2)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.46
RIN1 Q13671 1/20 0.46
MAPT P10636 4/20 0.36
GPX4 P36969 1/20 0.34
TP53 P04637 1/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
MAPK10 P53779 1/20 0.34
KDR P35968 2/20 0.34
KDM4E B2RXH2 3/20 0.33
HTT P42858 3/20 0.33
ACHE P22303 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
STAT3 P40763 1/20 0.33
PPARG P37231 1/20 0.33
NR2E3 Q9Y5X4 1/20 0.33
NCOR2 Q9Y618 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33

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
SCHEMBL4838665 0.81 ABL1 (0.51) ABL1RIN1MAPTGPX4TP53
SCHEMBL4865411 0.79 ABL1 (0.41) ABL1RIN1MAPTTP53RAB9A
SCHEMBL4407963 0.79 ABL1 (0.48) ABL1RIN1MAPTGPX4TP53
SCHEMBL4839459 0.73 ABL1 (0.44) ABL1RIN1MAPTRAB9ANPC1
SCHEMBL3132617 0.71 ABL1 (0.41) ABL1RIN1MAPTRAB9ANPC1
SCHEMBL4839938 0.70 ABL1 (0.47) ABL1RIN1MAPTGPX4TP53
SCHEMBL4838083 0.70 ABL1 (0.38) ABL1RIN1MAPTTP53RAB9A
SCHEMBL27620330 0.70 ABL1 (0.33) ABL1RIN1MAPTGPX4TP53
SCHEMBL4847336 0.69 ABL1 (0.34) ABL1RIN1MAPTGPX4TP53
SCHEMBL4838681 0.69 ABL1 (0.34) ABL1RIN1MAPTGPX4TP53

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-1501812-B1 PNA MONOMER AND PRECURSOR PANAGENE INC (KR) 2009-12-30 EP disclosed