SCHEMBL16690990

SCHEMBL16690990

Cc1cccc(OP(=O)(ON)ON)c1C

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.68
GAA P10253 2/20 0.41
LMNA P02545 2/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
HTR1B P28222 1/20 0.39
POLB P06746 3/20 0.38
KEAP1 Q14145 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 3/20 0.37
CRHBP P24387 1/20 0.37
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
CRHR2 Q13324 1/20 0.37
DHFR P00374 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TP53 P04637 1/20 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
SCHEMBL108985 0.88 MAPT (0.71) MAPTGAALMNAMAPK1HTT
SCHEMBL6814025 0.83 MAPT (0.65) MAPTGAALMNAMAPK1HTT
SCHEMBL28476676 0.81 MAPT (0.62) MAPTGAALMNAMAPK1HTT
SCHEMBL28759781 0.79 MAPT (0.59) MAPTGAALMNAMAPK1HTT
SCHEMBL30441246 0.79 MAPT (0.59) MAPTGAALMNAMAPK1HTT
SCHEMBL234314 0.79 MAPT (0.59) MAPTGAALMNAMAPK1HTT
SCHEMBL989873 0.79 MAPT (0.59) MAPTGAALMNAMAPK1HTT
Triphenyl Phosphate SCHEMBL30396346 0.79 MAPT (0.59) MAPTGAALMNAMAPK1HTT
SCHEMBL4451361 0.79 MAPT (0.69) MAPTGAALMNAMAPK1HTT
SCHEMBL19348791 0.78 MAPT (0.73) MAPTGAALMNAMAPK1HTT

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-2015063516-A2 COMPOUNDS UNIVERSITETET I OSLO (NO) 2015-05-07 WO disclosed