SCHEMBL4718946

SCHEMBL4718946

O=C(O)Oc1cn(C2CC2)c2cc(N3CCN(C(=S)Nc4ccc([N+](=O)[O-])cc4)CC3)c(F)cc2c1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 7/20 0.58
PIK3CD O00329 5/20 0.58
PIK3R1 P27986 5/20 0.58
PIK3CA P42336 5/20 0.58
ALDH1A1 P00352 5/20 0.50
KDM4E B2RXH2 4/20 0.50
KMT2A Q03164 4/20 0.49
ATM Q13315 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
MAPT P10636 4/20 0.48
MEN1 O00255 3/20 0.48
HTT P42858 3/20 0.48
LMNA P02545 3/20 0.48
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
HPGD P15428 2/20 0.46
HSD17B10 Q99714 2/20 0.46
CYP1A2 P05177 1/20 0.46

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
SCHEMBL4718945 0.90 PIK3CG (0.71) PIK3CGPIK3CDPIK3R1PIK3CAALDH1A1
SCHEMBL10818692 0.88 PIK3CG (0.65) PIK3CGPIK3CDPIK3R1PIK3CAALDH1A1
SCHEMBL4762296 0.86 KDM4E (0.65) ALDH1A1KDM4EKMT2AATMTDP1
SCHEMBL4761515 0.84 ALDH1A1 (0.59) PIK3CGPIK3CDPIK3R1PIK3CAALDH1A1
SCHEMBL4717938 0.83 PIK3CG (0.72) PIK3CGPIK3CDPIK3R1PIK3CAALDH1A1
SCHEMBL10920126 0.82 KDM4E (0.59) PIK3CGPIK3CDPIK3R1PIK3CAALDH1A1
SCHEMBL4717846 0.80 KDM4E (0.69) PIK3CGPIK3CDPIK3R1PIK3CAALDH1A1
SCHEMBL10919722 0.80 KDM4E (0.63) PIK3CGPIK3CDPIK3R1PIK3CAALDH1A1
SCHEMBL10807312 0.79 KDM4E (0.62) PIK3CGPIK3CDPIK3R1PIK3CAALDH1A1
SCHEMBL10809245 0.79 KDM4E (0.77) PIK3CGPIK3CDPIK3R1PIK3CAALDH1A1

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