SCHEMBL4717846

SCHEMBL4717846

O=C(O)c1cn(C2CC2)c2cc(N3CCN(C(=S)Nc4ccc(F)cc4)CC3)c(F)cc2c1=O

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.69
ALDH1A1 P00352 3/20 0.69
LMNA P02545 2/20 0.64
HPGD P15428 2/20 0.64
HSD17B10 Q99714 2/20 0.64
CYP1A2 P05177 1/20 0.64
TOP2A P11388 1/20 0.64
CYP2C9 P11712 1/20 0.64
TOP2B Q02880 1/20 0.64
MAPT P10636 1/20 0.63
CA1 P00915 1/20 0.63
CA2 P00918 1/20 0.63
PIK3CG P48736 7/20 0.62
PIK3CD O00329 5/20 0.62
PIK3R1 P27986 5/20 0.62
PIK3CA P42336 5/20 0.62
KMT2A Q03164 1/20 0.62
ATM Q13315 1/20 0.62
TDP1 Q9NUW8 1/20 0.62

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
SCHEMBL15281384 0.92 KDM4E (0.65) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL4718945 0.90 PIK3CG (0.71) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL15281352 0.88 KDM4E (0.62) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL15281357 0.88 KDM4E (0.70) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL8924883 0.86 KDM4E (0.75) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL15281380 0.86 KDM4E (0.62) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL10920123 0.86 KDM4E (0.72) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL8924080 0.85 KDM4E (0.80) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL8192604 0.84 KDM4E (0.78) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL4717938 0.82 PIK3CG (0.72) 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 2 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 disclosed
US-6967205-B1 Compounds with antibacterial and antiparasitic properties NEW PHARMA RESEARCH SWEDEN AB (SE) 2005-11-22 US disclosed