SCHEMBL4457288

SCHEMBL4457288

CCCCOc1cccc(C(=O)O)c1.O=[N+]([O-])c1ccc2cccnc2c1O

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 3/20 0.52
KMT2A Q03164 3/20 0.49
MEN1 O00255 1/20 0.49
NR1H4 Q96RI1 3/20 0.48
TP53 P04637 1/20 0.47
POLB P06746 1/20 0.47
HSP90AA1 P07900 1/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
PLA2G4A P47712 1/20 0.42
PTPN11 Q06124 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
SMPD1 P17405 1/20 0.42

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
SCHEMBL4466848 0.95 KMT2A (0.56) PLA2G4BKMT2AMEN1NR1H4TP53
SCHEMBL4465726 0.91 KMT2A (0.46) KMT2AMEN1NR1H4TP53POLB
SCHEMBL4461356 0.90 PLA2G4B (0.51) PLA2G4BTP53HSP90AA1NPC1RAB9A
SCHEMBL4462764 0.86 PLA2G4B (0.46) PLA2G4BKMT2AMEN1TP53HSP90AA1
SCHEMBL4462759 0.86 PLA2G4B (0.46) PLA2G4BKMT2AMEN1TP53HSP90AA1
SCHEMBL4460077 0.86 NR4A2 (0.56) NR1H4
SCHEMBL4457850 0.85 KMT2A (0.48) KMT2AMEN1HSP90AA1NPC1RAB9A
M-Phenoxybenzoic Acid For Cis-Isomer SCHEMBL4460165 0.85 KDM4E (0.53) KMT2AMEN1HSP90AA1LMNAMAPT
M-Phenoxybenzoic Acid For Cis-Isomer SCHEMBL4460153 0.85 KDM4E (0.53) KMT2AMEN1HSP90AA1LMNAMAPT
SCHEMBL4457290 0.83 KMT2A (0.52) KMT2AMEN1TP53POLBHSP90AA1

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 1 patent. 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