SCHEMBL4715022

SCHEMBL4715022

O=C(O)c1cn(C2CC2)c2cc(N3CCN(S(=O)(=O)Cc4ccccc4)CC3)c(F)cc2c1=O

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.66
ALDH1A1 P00352 4/20 0.66
LMNA P02545 3/20 0.66
HPGD P15428 2/20 0.66
HSD17B10 Q99714 2/20 0.66
MAPT P10636 1/20 0.66
HTT P42858 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
TOP2B Q02880 2/20 0.64
CYP1A2 P05177 1/20 0.64
TOP2A P11388 1/20 0.64
CYP2C9 P11712 1/20 0.64
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
PIK3CG P48736 3/20 0.58
PIK3CD O00329 2/20 0.57
PIK3R1 P27986 2/20 0.57
PIK3CA P42336 2/20 0.57

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
SCHEMBL4715024 0.89 KDM4E (0.51) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL4718919 0.86 ALDH1A1 (0.77) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL6304212 0.86 KDM4E (0.73) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL30306130 0.85 KDM4E (0.76) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL25381168 0.85 KDM4E (0.76) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL31402731 0.85 KDM4E (0.73) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL13576360 0.85 KDM4E (0.73) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL31402729 0.85 KDM4E (0.73) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL4716469 0.85 ALDH1A1 (0.69) KDM4EALDH1A1LMNAHPGDHSD17B10
Hydrochloric Acid SCHEMBL30306106 0.85 KDM4E (0.75) KDM4EALDH1A1LMNAHPGDHSD17B10

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 3 patents. 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
EP-1230235-B1 COMPOUNDS WITH ANTIBACTERIAL AND ANTIPARASITIC PROPERTIES NEW PHARMA RES SWEDEN AB (SE) 2008-06-11 EP disclosed
US-6967205-B1 Compounds with antibacterial and antiparasitic properties NEW PHARMA RESEARCH SWEDEN AB (SE) 2005-11-22 US disclosed