SCHEMBL4259699

SCHEMBL4259699

O=C(ON=Cc1ccc(C#Cc2ccccc2)cc1)c1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 7/20 0.73
MIF P14174 2/20 0.70
FFAR1 O14842 2/20 0.51
MAPT P10636 6/20 0.49
KDM4E B2RXH2 4/20 0.48
GAA P10253 2/20 0.48
ALDH1A1 P00352 2/20 0.48
KMT2A Q03164 3/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.43
ALOX5 P09917 1/20 0.42
MEN1 O00255 1/20 0.40
HPGD P15428 1/20 0.40
PPARG P37231 1/20 0.40
NCOA2 Q15596 1/20 0.40
NCOA1 Q15788 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40

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
SCHEMBL4259696 1.00 PLA2G7 (0.73) PLA2G7MIFFFAR1MAPTKDM4E
SCHEMBL3222745 0.85 PLA2G7 (1.00) PLA2G7MIFMAPTKDM4EGAA
SCHEMBL3222751 0.85 PLA2G7 (1.00) PLA2G7MIFMAPTKDM4EGAA
SCHEMBL13930605 0.83 PLA2G7 (0.87) PLA2G7MIFMAPTKDM4EGAA
SCHEMBL13595497 0.83 MIF (1.00) PLA2G7MIFMAPTKDM4EGAA
SCHEMBL3225285 0.81 PLA2G7 (1.00) PLA2G7MIFMAPTKDM4EGAA
SCHEMBL3225274 0.81 PLA2G7 (1.00) PLA2G7MIFMAPTKDM4EGAA
SCHEMBL4259708 0.78 NPC1 (0.71) MAPTALDH1A1KMT2ARAB9ANPC1
SCHEMBL4259706 0.78 NPC1 (0.71) MAPTALDH1A1KMT2ARAB9ANPC1
SCHEMBL27854906 0.78 PLA2G7 (0.71) PLA2G7MIFMAPTKDM4EGAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7488721-B2 Real time methylumbelliferone-based assay MCMASTER UNIVERSITY (CA) 2009-02-10 US disclosed
US-20060008862-A1 Real time methylumbelliferone-based assay THE HOSPITAL FOR SICK CHILDREN 2006-01-12 US disclosed