SCHEMBL4409065

SCHEMBL4409065

O=C(Nc1ccc(OC(F)(F)F)cc1)ON=Cc1ccc(C#Cc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FAAH O00519 15/20 0.58
NPC1 O15118 3/20 0.58
RAB9A P51151 3/20 0.58
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51

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
SCHEMBL4409062 1.00 FAAH (0.58) FAAHNPC1RAB9AMEN1KMT2A
SCHEMBL13930606 1.00 FAAH (0.58) FAAHNPC1RAB9AMEN1KMT2A
SCHEMBL4259706 0.86 NPC1 (0.71) FAAHNPC1RAB9AMEN1KMT2A
SCHEMBL4259708 0.86 NPC1 (0.71) FAAHNPC1RAB9AMEN1KMT2A
SCHEMBL20024380 0.74 NPC1 (0.49) FAAHNPC1RAB9AMEN1KMT2A
SCHEMBL23880556 0.73 PTPN11 (0.61) KMT2A
SCHEMBL403812 0.72 APP (0.50)
SCHEMBL4259696 0.72 PLA2G7 (0.73) NPC1RAB9AMEN1KMT2A
SCHEMBL4259699 0.72 PLA2G7 (0.73) NPC1RAB9AMEN1KMT2A
SCHEMBL4351772 0.70 EPHX2 (0.63) FAAHRAB9AMEN1KMT2A

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