SCHEMBL4718945

SCHEMBL4718945

O=C(O)c1cn(C2CC2)c2cc(N3CCN(C(=S)Nc4ccc([N+](=O)[O-])cc4)CC3)c(F)cc2c1=O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 7/20 0.71
PIK3CD O00329 5/20 0.71
PIK3R1 P27986 5/20 0.71
PIK3CA P42336 5/20 0.71
KDM4E B2RXH2 5/20 0.63
ALDH1A1 P00352 4/20 0.63
CA1 P00915 1/20 0.60
CA2 P00918 1/20 0.60
LMNA P02545 3/20 0.58
HPGD P15428 2/20 0.58
HSD17B10 Q99714 2/20 0.58
CYP1A2 P05177 1/20 0.58
TOP2A P11388 1/20 0.58
CYP2C9 P11712 1/20 0.58
TOP2B Q02880 1/20 0.58
MAPT P10636 1/20 0.58
KMT2A Q03164 1/20 0.57
ATM Q13315 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
HTT P42858 1/20 0.53

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
SCHEMBL4717938 0.93 PIK3CG (0.72) PIK3CGPIK3CDPIK3R1PIK3CAKDM4E
SCHEMBL4717846 0.90 KDM4E (0.69) PIK3CGPIK3CDPIK3R1PIK3CAKDM4E
SCHEMBL4718946 0.90 PIK3CG (0.58) PIK3CGPIK3CDPIK3R1PIK3CAKDM4E
SCHEMBL15281384 0.87 KDM4E (0.65) PIK3CGPIK3CDPIK3R1PIK3CAKDM4E
SCHEMBL10818691 0.87 PIK3CG (0.81) PIK3CGPIK3CDPIK3R1PIK3CAKDM4E
SCHEMBL4760741 0.86 KDM4E (0.77) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL6302320 0.85 KMT2A (0.62) PIK3CGPIK3CDPIK3R1PIK3CAKDM4E
SCHEMBL15281352 0.83 KDM4E (0.62) PIK3CGPIK3CDPIK3R1PIK3CAKDM4E
SCHEMBL4717706 0.83 ALDH1A1 (0.73) PIK3CGPIK3CDPIK3R1PIK3CAKDM4E
SCHEMBL8924883 0.82 KDM4E (0.75) PIK3CGPIK3CDPIK3R1PIK3CAKDM4E

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-1230235-B1 COMPOUNDS WITH ANTIBACTERIAL AND ANTIPARASITIC PROPERTIES NEW PHARMA RES SWEDEN AB (SE) 2008-06-11 EP claimed