SCHEMBL11266959

SCHEMBL11266959

CCCC(=O)Oc1ccc(C(=O)c2ccc([N+](=O)[O-])cc2)c(Cl)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.65
MAPK1 P28482 2/20 0.65
TDP1 Q9NUW8 2/20 0.65
POLB P06746 1/20 0.65
BCL9 O00512 1/20 0.64
CTNNB1 P35222 1/20 0.64
NPSR1 Q6W5P4 2/20 0.62
HTT P42858 2/20 0.62
GAA P10253 1/20 0.62
KDM4E B2RXH2 1/20 0.56
SMN1; SMN2 Q16637 4/20 0.46
KMT2A Q03164 3/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
PTPN7 P35236 1/20 0.45
PTPN12 Q05209 1/20 0.45
PTPN22 Q9Y2R2 1/20 0.45
NR1H4 Q96RI1 1/20 0.44
MEN1 O00255 1/20 0.43
LMNA P02545 3/20 0.43

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
SCHEMBL11264402 0.82 MAPK1 (0.85) MAPTMAPK1TDP1POLBNPSR1
SCHEMBL11266950 0.80 MAPT (0.69) MAPTMAPK1TDP1POLBNPSR1
SCHEMBL133257 0.80 BCL9 (1.00) MAPTMAPK1BCL9CTNNB1HTT
SCHEMBL26111924 0.79 BCL9 (0.97) MAPTMAPK1BCL9CTNNB1HTT
SCHEMBL10728358 0.78 BCL9 (0.83) MAPTMAPK1BCL9CTNNB1GAA
SCHEMBL11421535 0.78 MAPT (0.65) MAPTMAPK1TDP1POLBNPSR1
SCHEMBL6846139 0.77 MAPK1 (1.00) MAPTMAPK1TDP1POLBNPSR1
SCHEMBL11067446 0.76 MAPK1 (0.64) MAPTMAPK1TDP1POLBNPSR1
SCHEMBL27475086 0.75 BCL9 (0.61) MAPTMAPK1BCL9CTNNB1SMN1; SMN2
SCHEMBL11421508 0.75 MAPK1 (0.62) MAPTMAPK1TDP1POLBNPSR1

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
US-4323691-A Hydroxyaminomethyl derivatives of benzoyl di-substituted α-phenoxyalkanoyl esters ABBOTT LABORATORIES (US) 1982-04-06 US disclosed