SCHEMBL4760741

SCHEMBL4760741

CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C(=S)Nc4ccc([N+](=O)[O-])cc4)CC3)cc21

nearest known ligand 0.77

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 13/20 0.77
TDP1 Q9NUW8 4/20 0.77
KMT2A Q03164 3/20 0.77
ATM Q13315 1/20 0.77
HTT P42858 5/20 0.69
ALDH1A1 P00352 5/20 0.69
LMNA P02545 3/20 0.69
HPGD P15428 3/20 0.69
MEN1 O00255 2/20 0.69
SMN1; SMN2 Q16637 2/20 0.69
HSD17B10 Q99714 2/20 0.69
USP2 O75604 1/20 0.69
TSHR P16473 1/20 0.69
MAPT P10636 2/20 0.64
MAPK1 P28482 1/20 0.64
POLB P06746 4/20 0.63
GAA P10253 2/20 0.63
TP53 P04637 1/20 0.61
DRD3 P35462 1/20 0.61

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
SCHEMBL4762296 0.90 KDM4E (0.65) KDM4ETDP1KMT2AATMHTT
SCHEMBL15281340 0.89 KDM4E (0.85) KDM4ETDP1KMT2AATMHTT
SCHEMBL16690390 0.89 KDM4E (0.82) KDM4ETDP1KMT2AATMHTT
SCHEMBL15281310 0.88 KDM4E (0.81) KDM4ETDP1KMT2AATMHTT
SCHEMBL15281339 0.87 KDM4E (1.00) KDM4ETDP1KMT2AATMHTT
SCHEMBL4718945 0.86 PIK3CG (0.71) KDM4ETDP1KMT2AATMHTT
SCHEMBL11026144 0.85 DRD3 (0.65) KDM4ETDP1KMT2AATMHTT
SCHEMBL6302320 0.85 KMT2A (0.62) KDM4ETDP1KMT2AATMHTT
SCHEMBL16690444 0.84 KDM4E (0.75) KDM4ETDP1KMT2AATMHTT
SCHEMBL15281332 0.84 KDM4E (0.74) KDM4ETDP1KMT2AATMHTT

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