SCHEMBL5874707

SCHEMBL5874707

CC(=O)Nc1ccc(C(=O)O)c(NC(=N)N)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.51
MYC P01106 1/20 0.47
KDM4E B2RXH2 6/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
NPC1 O15118 2/20 0.44
MAPT P10636 2/20 0.44
RAB9A P51151 2/20 0.44
GLA P06280 1/20 0.44
TNNI3 P19429 1/20 0.44
TNNT2 P45379 1/20 0.44
TNNC1 P63316 1/20 0.44
RUNX1 Q01196 1/20 0.44
CBFB Q13951 1/20 0.44
POLB P06746 1/20 0.43
HDAC1 Q13547 2/20 0.43
SIRT2 Q8IXJ6 1/20 0.42
GRIK1 P39086 1/20 0.42
AKR1B10 O60218 1/20 0.42

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
SCHEMBL976774 0.87 MPO (0.58) MPOMYCKDM4ESMN1; SMN2KMT2A
SCHEMBL11796147 0.85 MPO (0.57) MPOMYCKDM4ESMN1; SMN2KMT2A
SCHEMBL7376765 0.79 SIRT2 (0.59) KDM4ESMN1; SMN2KMT2AMEN1NPC1
SCHEMBL11432068 0.78 CACNA1B (0.54) MPOKDM4EKMT2AMEN1MAPT
SCHEMBL28779396 0.77 TDP1 (0.43) MYCKDM4EKMT2AMEN1NPC1
SCHEMBL2500845 0.77 MYC (0.61) MPOMYCKDM4ESMN1; SMN2KMT2A
SCHEMBL2745967 0.76 CYP1A2 (0.49) MYCKMT2ANPC1RAB9APOLB
SCHEMBL10895758 0.76 SMN1; SMN2 (0.61) KDM4ESMN1; SMN2KMT2AMEN1NPC1
SCHEMBL31312483 0.76 MPO (0.76) MPOKDM4EKMT2AMEN1MAPT
Hydrochloric Acid SCHEMBL28779394 0.76 TDP1 (0.42) MYCKDM4EKMT2AMEN1NPC1

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