SCHEMBL4717706

SCHEMBL4717706

O=C(O)c1cn(C2CC2)c2cc(N3CCN(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)CC3)c(F)cc2c1=O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.73
KDM4E B2RXH2 6/20 0.73
LMNA P02545 4/20 0.73
HTT P42858 4/20 0.73
SMN1; SMN2 Q16637 2/20 0.73
PIK3CG P48736 5/20 0.69
PIK3CD O00329 4/20 0.69
PIK3R1 P27986 4/20 0.69
PIK3CA P42336 4/20 0.69
HPGD P15428 5/20 0.61
HSD17B10 Q99714 2/20 0.61
CYP1A2 P05177 1/20 0.61
TOP2A P11388 1/20 0.61
CYP2C9 P11712 1/20 0.61
TOP2B Q02880 1/20 0.61
MAPT P10636 2/20 0.60
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
POLB P06746 2/20 0.55
GAA P10253 2/20 0.55

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
SCHEMBL4718919 0.90 ALDH1A1 (0.77) ALDH1A1KDM4ELMNAHTTSMN1; SMN2
SCHEMBL4761515 0.90 ALDH1A1 (0.59) ALDH1A1KDM4ELMNAHTTSMN1; SMN2
SCHEMBL9162886 0.89 ALDH1A1 (0.76) ALDH1A1KDM4ELMNAHTTSMN1; SMN2
SCHEMBL6305080 0.89 ALDH1A1 (0.76) ALDH1A1KDM4ELMNAHTTSMN1; SMN2
SCHEMBL4717454 0.87 ALDH1A1 (0.73) ALDH1A1KDM4ELMNAHTTSMN1; SMN2
SCHEMBL10818691 0.86 PIK3CG (0.81) ALDH1A1KDM4ELMNAHTTSMN1; SMN2
SCHEMBL4718628 0.86 ALDH1A1 (0.74) ALDH1A1KDM4ELMNAHTTSMN1; SMN2
SCHEMBL13856427 0.85 ALDH1A1 (0.76) ALDH1A1KDM4ELMNAHTTSMN1; SMN2
SCHEMBL4719318 0.85 ALDH1A1 (0.80) ALDH1A1KDM4ELMNAHTTSMN1; SMN2
SCHEMBL4717938 0.84 PIK3CG (0.72) ALDH1A1KDM4ELMNAHTTSMN1; SMN2

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