SCHEMBL4718919

SCHEMBL4718919

O=C(O)c1cn(C2CC2)c2cc(N3CCN(S(=O)(=O)c4ccccc4)CC3)c(F)cc2c1=O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.77
KDM4E B2RXH2 5/20 0.77
LMNA P02545 3/20 0.77
HTT P42858 3/20 0.77
SMN1; SMN2 Q16637 2/20 0.77
HPGD P15428 4/20 0.67
HSD17B10 Q99714 2/20 0.67
CYP1A2 P05177 1/20 0.67
TOP2A P11388 1/20 0.67
CYP2C9 P11712 1/20 0.67
TOP2B Q02880 1/20 0.67
MAPT P10636 1/20 0.66
CA1 P00915 1/20 0.61
CA2 P00918 1/20 0.61
PIK3CG P48736 5/20 0.61
PIK3CD O00329 4/20 0.60
PIK3R1 P27986 4/20 0.60
PIK3CA P42336 4/20 0.60
POLB P06746 1/20 0.57
GAA P10253 1/20 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
SCHEMBL4718628 0.92 ALDH1A1 (0.74) ALDH1A1KDM4ELMNAHTTSMN1; SMN2
SCHEMBL9162886 0.92 ALDH1A1 (0.76) ALDH1A1KDM4ELMNAHTTSMN1; SMN2
SCHEMBL6305080 0.92 ALDH1A1 (0.76) ALDH1A1KDM4ELMNAHTTSMN1; SMN2
SCHEMBL4717706 0.90 ALDH1A1 (0.73) ALDH1A1KDM4ELMNAHTTSMN1; SMN2
SCHEMBL4717454 0.90 ALDH1A1 (0.73) ALDH1A1KDM4ELMNAHTTSMN1; SMN2
SCHEMBL4762041 0.88 ALDH1A1 (0.62) ALDH1A1KDM4ELMNAHTTSMN1; SMN2
SCHEMBL13856427 0.88 ALDH1A1 (0.76) ALDH1A1KDM4ELMNAHTTSMN1; SMN2
SCHEMBL31402731 0.88 KDM4E (0.73) ALDH1A1KDM4ELMNAHTTSMN1; SMN2
SCHEMBL31402729 0.88 KDM4E (0.73) ALDH1A1KDM4ELMNAHTTSMN1; SMN2
SCHEMBL13576360 0.88 KDM4E (0.73) 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 5 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
EP-1230235-A1 COMPOUNDS WITH ANTIBACTERIAL AND ANTIPARASITIC PROPERTIES New Pharma Research Sweden AB (SE) 2002-08-14 EP disclosed
WO-2001036408-A1 COMPOUNDS WITH ANTIBACTERIAL AND ANTIPARASITIC PROPERTIES NEW PHARMA RESEARCH SWEDEN AB (SE) 2001-05-25 WO disclosed