SCHEMBL4745918

SCHEMBL4745918

O=[N+]([O-])c1ccc(/C=C/c2nc(Nc3ccc(OP(=O)(O)O)cc3)c3ccc(F)cc3n2)o1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 2/20 0.36
LYN P07948 2/20 0.36
SRC P12931 2/20 0.36
CSK P41240 2/20 0.36
BTK Q06187 2/20 0.36
PTK6 Q13882 1/20 0.36
PTGS2 P35354 2/20 0.36
KMT2A Q03164 10/20 0.36
MEN1 O00255 9/20 0.36
MAPT P10636 6/20 0.36
L3MBTL1 Q9Y468 5/20 0.36
NPC1 O15118 5/20 0.36
RAB9A P51151 4/20 0.36
TDP1 Q9NUW8 2/20 0.36
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 6/20 0.35
POLB P06746 6/20 0.35
HTT P42858 5/20 0.35
LMNA P02545 4/20 0.35
HSP90AA1 P07900 2/20 0.35

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
SCHEMBL4745921 1.00 LCK (0.36) LCKLYNSRCCSKBTK
SCHEMBL4367136 0.88 PTGS2 (0.49) LCKLYNSRCCSKBTK
SCHEMBL4367131 0.88 PTGS2 (0.49) LCKLYNSRCCSKBTK
SCHEMBL4363237 0.87 KMT2A (0.46) LCKLYNSRCCSKBTK
SCHEMBL4363239 0.87 KMT2A (0.46) LCKLYNSRCCSKBTK
SCHEMBL4747996 0.84 MAPT (0.37) KMT2AMEN1MAPTL3MBTL1NPC1
SCHEMBL4365890 0.82 KDM1A (0.47) LCKLYNSRCCSKBTK
SCHEMBL4365886 0.82 KDM1A (0.47) LCKLYNSRCCSKBTK
SCHEMBL4374636 0.81 LCK (0.57) LCKLYNSRCCSKBTK
SCHEMBL4374638 0.81 LCK (0.57) LCKLYNSRCCSKBTK

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-2008113161-A1 PHOSPHATE PRODRUGS OF QUINAZOLINYL NITROFURANS, METHODS OF OBTAINING, AND USE OF SAME ULYSSES PHARMACEUTICAL PRODUCTS INC. (CA) 2008-09-25 WO disclosed