SCHEMBL5874711

SCHEMBL5874711

CC(=O)NN=C(N)Nc1ccc(C(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
EPHX2 P34913 1/20 0.44
NR1H4 Q96RI1 1/20 0.44
ALDH1A1 P00352 4/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
MITF O75030 1/20 0.42
CACNA1B Q00975 1/20 0.42
APBA1 Q02410 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NEU3 Q9UQ49 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
FFAR1 O14842 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL7296946 0.78 ALDH1A1 (0.50) CA12CA2CA9EPHX2NR1H4
SCHEMBL2746644 0.78 CA2 (0.50) CA12CA2CA9EPHX2NR1H4
Acedoben SCHEMBL24320 0.77 ALDH1A1 (0.68) CA12CA2CA9EPHX2NR1H4
SCHEMBL7287083 0.76 KMT2A (0.43) CA12CA2CA9EPHX2NR1H4
Acedoben SCHEMBL11274912 0.75 ALDH1A1 (0.66) CA12CA2CA9EPHX2NR1H4
Acedoben SCHEMBL3464430 0.75 ALDH1A1 (0.66) CA12CA2CA9EPHX2NR1H4
Acedoben SCHEMBL11793874 0.75 ALDH1A1 (0.66) CA12CA2CA9EPHX2NR1H4
Acedoben SCHEMBL1458995 0.75 ALDH1A1 (0.66) CA12CA2CA9EPHX2NR1H4
Acedoben SCHEMBL11257704 0.73 ALDH1A1 (0.63) CA12CA2CA9EPHX2NR1H4
SCHEMBL7521048 0.73 PEPD (0.61) CA2EPHX2NR1H4ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7018792-B2 trifunctional biosensors comprising alkyl chains for attachment to substrates, fluorescent dyes for generation of fluorescent signals and recognition moiety capable of binding with neuraminidase, used for the detection of influenza virus THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-03-28 US disclosed
US-20060003318-A1 INFLUENZA SENSOR LOS ALAMOS NATIONAL SECURITY, LLC 2006-01-05 US disclosed
US-6893814-B2 Influenza sensor THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-05-17 US disclosed
US-20040058315-A1 Influenza sensor LOS ALAMOS NATIONAL SECURITY, LLC 2004-03-25 US disclosed
US-6627396-B1 For detection of tetrameric multivalent neuraminidase within a sample, indicating presence of a virus; recognition molecules bound to trifunctional linker which includes a fluorescence label; binding causes detectable signal THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2003-09-30 US disclosed