SCHEMBL4457246

SCHEMBL4457246

O=C(CCC(=O)Oc1cccc2cccnc12)Oc1cccc2cccnc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.66
L3MBTL1 Q9Y468 5/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
GAA P10253 1/20 0.66
METAP2 P50579 1/20 0.63
METAP1 P53582 1/20 0.63
HDAC6 Q9UBN7 1/20 0.63
KDM4E B2RXH2 5/20 0.60
POLB P06746 3/20 0.60
HSP90AA1 P07900 1/20 0.58
USP2 O75604 1/20 0.57
KMT2A Q03164 3/20 0.57
MAPT P10636 4/20 0.56
NPSR1 Q6W5P4 4/20 0.56
MEN1 O00255 2/20 0.56
ALOX15 P16050 1/20 0.56
HTT P42858 1/20 0.56
RAB9A P51151 2/20 0.52
NPC1 O15118 1/20 0.52
PRSS1 P07477 1/20 0.51

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
SCHEMBL10751742 0.91 LMNA (0.60) LMNAL3MBTL1SMN1; SMN2GAAMETAP2
SCHEMBL6983292 0.87 LMNA (0.63) LMNAL3MBTL1SMN1; SMN2GAAMETAP2
SCHEMBL10750474 0.87 LMNA (0.63) LMNAL3MBTL1SMN1; SMN2GAAMETAP2
SCHEMBL8822078 0.86 LMNA (0.55) LMNAL3MBTL1SMN1; SMN2GAAMETAP2
SCHEMBL1121857 0.86 LMNA (0.55) LMNAL3MBTL1SMN1; SMN2GAAMETAP2
SCHEMBL10752030 0.86 LMNA (0.55) LMNAL3MBTL1SMN1; SMN2GAAMETAP2
SCHEMBL13396849 0.85 LMNA (0.57) LMNAL3MBTL1SMN1; SMN2GAAMETAP2
SCHEMBL10751830 0.84 LMNA (0.60) LMNAL3MBTL1SMN1; SMN2GAAMETAP2
SCHEMBL28459061 0.84 LMNA (0.69) LMNAL3MBTL1SMN1; SMN2GAAMETAP2
SCHEMBL22722222 0.83 LMNA (0.50) LMNAL3MBTL1SMN1; SMN2GAAMETAP2

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
WO-2009140215-A2 METHOD FOR TREATING DRUG-RESISTANT BACTERIAL AND OTHER INFECTIONS WITH CLIOQUINOL, PHANQUINONE, AND RELATED COMPOUNDS GERAGHTY, ERIN (US) 2009-11-19 WO claimed
WO-2009140215-A2 METHOD FOR TREATING DRUG-RESISTANT BACTERIAL AND OTHER INFECTIONS WITH CLIOQUINOL, PHANQUINONE, AND RELATED COMPOUNDS GERAGHTY, ERIN (US) 2009-11-19 WO disclosed