SCHEMBL4747996

SCHEMBL4747996

O=[N+]([O-])c1ccc(C=Cc2nc(Nc3ccc(OP(=O)(O)O)cc3)c3cc(N4CCOCC4)c(F)cc3n2)o1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.37
ALDH1A1 P00352 8/20 0.37
RAB9A P51151 4/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
GAA P10253 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
LMNA P02545 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
HTT P42858 1/20 0.35
NPC1 O15118 3/20 0.34
MITF O75030 2/20 0.33
USP2 O75604 1/20 0.33
HPGD P15428 1/20 0.33
CSF1R P07333 1/20 0.33
HSP90AA1 P07900 1/20 0.33

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
SCHEMBL4362862 0.90 MAPT (0.46) MAPTALDH1A1RAB9AMEN1KMT2A
SCHEMBL4362857 0.90 MAPT (0.46) MAPTALDH1A1RAB9AMEN1KMT2A
SCHEMBL4361527 0.89 ALDH1A1 (0.44) MAPTALDH1A1RAB9AMEN1KMT2A
SCHEMBL4361528 0.89 ALDH1A1 (0.44) MAPTALDH1A1RAB9AMEN1KMT2A
SCHEMBL4369446 0.86 MAPT (0.40) MAPTALDH1A1RAB9AMEN1KMT2A
SCHEMBL4369449 0.86 MAPT (0.40) MAPTALDH1A1RAB9AMEN1KMT2A
SCHEMBL4375416 0.86 ALDH1A1 (0.44) MAPTALDH1A1RAB9AMEN1KMT2A
SCHEMBL4375422 0.86 ALDH1A1 (0.44) MAPTALDH1A1RAB9AMEN1KMT2A
SCHEMBL4745918 0.84 LCK (0.36) MAPTALDH1A1RAB9AMEN1KMT2A
SCHEMBL4745921 0.84 LCK (0.36) MAPTALDH1A1RAB9AMEN1KMT2A

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