SCHEMBL4457883

SCHEMBL4457883

Nc1cc(F)c2cccnc2c1O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 6/20 0.72
HSP90AB1 P08238 2/20 0.72
MMP14 P50281 3/20 0.66
KDM4E B2RXH2 7/20 0.57
MEN1 O00255 6/20 0.57
KMT2A Q03164 6/20 0.57
L3MBTL1 Q9Y468 5/20 0.57
TDP1 Q9NUW8 5/20 0.57
ALDH1A1 P00352 5/20 0.57
LMNA P02545 4/20 0.57
MAPT P10636 4/20 0.57
IDO1 P14902 3/20 0.57
TDO2 P48775 2/20 0.57
POLB P06746 1/20 0.57
THRB P10828 1/20 0.57
PKM P14618 1/20 0.57
RECQL P46063 1/20 0.57
BLM P54132 1/20 0.57
CASP6 P55212 1/20 0.57
MPI P34949 1/20 0.54

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
SCHEMBL16207365 0.84 KDM4E (0.62) HSP90AA1HSP90AB1MMP14KDM4EMEN1
SCHEMBL113119 0.79 KDM4E (0.72) HSP90AA1HSP90AB1MMP14KDM4EMEN1
SCHEMBL30153812 0.79 KDM4E (0.72) HSP90AA1HSP90AB1MMP14KDM4EMEN1
SCHEMBL115570 0.79 KDM4E (0.72) HSP90AA1MMP14KDM4EMEN1KMT2A
SCHEMBL4467681 0.79 KDM4E (0.72) HSP90AA1HSP90AB1MMP14KDM4EMEN1
SCHEMBL113528 0.79 KDM4E (0.72) HSP90AA1HSP90AB1MMP14KDM4EMEN1
SCHEMBL12292143 0.79 HSP90AA1 (0.72) HSP90AA1HSP90AB1MMP14KDM4EMEN1
SCHEMBL7743581 0.79 L3MBTL1 (0.50) HSP90AA1HSP90AB1MMP14KDM4EMEN1
SCHEMBL22446563 0.79 L3MBTL1 (0.57) HSP90AA1HSP90AB1MMP14KDM4EMEN1
SCHEMBL2110200 0.79 MMP14 (1.00) HSP90AA1HSP90AB1MMP14KDM4EMEN1

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