SCHEMBL5372798

SCHEMBL5372798

N#[N+]c1ccc(CNC(=O)c2ccc(CO)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 8/20 0.61
HDAC6 Q9UBN7 6/20 0.50
HDAC1 Q13547 4/20 0.50
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
NR1H4 Q96RI1 5/20 0.48
HDAC8 Q9BY41 3/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC3 O15379 2/20 0.47
HDAC4 P56524 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPT P10636 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL16058342 0.80 HDAC6 (0.72) EPHX2HDAC6HDAC1CA2NR1H4
SCHEMBL2777733 0.78 HDAC6 (0.72) EPHX2HDAC6HDAC1NR1H4HDAC8
SCHEMBL5376086 0.77 TSHR (0.43) CA1CA2SMN1; SMN2ALDH1A1
SCHEMBL22059610 0.76 EPHX2 (1.00) EPHX2HDAC6CA1CA2NR1H4
SCHEMBL17694837 0.76 EPHX2 (0.62) EPHX2HDAC6HDAC1NR1H4HDAC8
SCHEMBL3919500 0.75 ALDH1A1 (0.78) EPHX2HDAC6HDAC1CA2NR1H4
SCHEMBL5369636 0.73 KMT2A (0.59) CA1CA2MEN1KMT2AMAPT
SCHEMBL9416580 0.72 HDAC6 (0.64) EPHX2HDAC6HDAC1CA1CA2
SCHEMBL3919573 0.72 HDAC6 (0.67) EPHX2HDAC6HDAC1HDAC8HDAC2
SCHEMBL14408232 0.71 CA1 (0.56) EPHX2HDAC6CA1CA2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7229668-B2 Process for the electrochemical production of a carbon-containing material whose surface is modified with organic groups, and use of the modified material CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2007-06-12 US claimed
CN-101426589-A By selective chemical modification carbon nanotube coating is formed pattern ELKOS INC (US) 2009-05-06 CN disclosed
US-7229668-B2 Process for the electrochemical production of a carbon-containing material whose surface is modified with organic groups, and use of the modified material CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2007-06-12 US disclosed
US-20060057290-A1 Patterning carbon nanotube coatings by selective chemical modification EIKOS, INC. 2006-03-16 US disclosed
US-20020144912-A1 Process for the electrochemical production of a carbon-containing material whose surface is modified with organic groups, and use of the modified material CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) 2002-10-10 US disclosed
US-6435240-B1 Process for the electrochemical production of a carbon-containing material whose surface is modified with organic groups, and use of the modified material CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2002-08-20 US disclosed
EP-0970265-B1 METHOD FOR PRODUCING BY ELECTROCHEMICAL PROCESS A CARBON-CONTAINING MATERIAL WITH ITS SURFACE MODIFIED BY ORGANIC GROUPS, USE OF THE MODIFIED MATERIAL CENTRE NAT RECH SCIENT (FR) 2002-07-03 EP disclosed
EP-0970265-A1 METHOD FOR PRODUCING BY ELECTROCHEMICAL PROCESS A CARBON-CONTAINING MATERIAL WITH ITS SURFACE MODIFIED BY ORGANIC GROUPS, USE OF THE MODIFIED MATERIAL CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2000-01-12 EP disclosed
WO-1998044172-A1 METHOD FOR PRODUCING BY ELECTROCHEMICAL PROCESS A CARBON-CONTAINING MATERIAL WITH ITS SURFACE MODIFIED BY ORGANIC GROUPS, USE OF THE MODIFIED MATERIAL CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S) (FR) 1998-10-08 WO disclosed