SCHEMBL4259706

SCHEMBL4259706

O=C(Nc1ccccc1)O/N=C\c1ccc(C#Cc2ccccc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.71
RAB9A P51151 4/20 0.71
MEN1 O00255 2/20 0.66
KMT2A Q03164 2/20 0.66
FAAH O00519 12/20 0.60
ALDH1A1 P00352 1/20 0.56
HPGD P15428 1/20 0.56
MAPT P10636 1/20 0.53

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
SCHEMBL4259708 1.00 NPC1 (0.71) NPC1RAB9AMEN1KMT2AFAAH
SCHEMBL4409065 0.86 FAAH (0.58) NPC1RAB9AMEN1KMT2AFAAH
SCHEMBL4409062 0.86 FAAH (0.58) NPC1RAB9AMEN1KMT2AFAAH
SCHEMBL13930606 0.86 FAAH (0.58) NPC1RAB9AMEN1KMT2AFAAH
SCHEMBL4259699 0.78 PLA2G7 (0.73) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL4259696 0.78 PLA2G7 (0.73) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL11151343 0.72 RAB9A (0.59) NPC1RAB9AMEN1KMT2AFAAH
SCHEMBL31060223 0.70 FAAH (1.00) FAAH
SCHEMBL11162837 0.69 FAAH (0.60) NPC1RAB9AMEN1KMT2AFAAH
SCHEMBL22103765 0.69 RAB9A (0.72) NPC1RAB9AMEN1KMT2AFAAH

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 3 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-7488721-B2 Real time methylumbelliferone-based assay MCMASTER UNIVERSITY (CA) 2009-02-10 US disclosed
US-7488721-B2 Real time methylumbelliferone-based assay MCMASTER UNIVERSITY (CA) 2009-02-10 US disclosed