SCHEMBL6939735

SCHEMBL6939735

Nc1ccccc1NC(=O)c1ccc(OCC(=O)NCc2cccnc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 10/20 0.68
NAMPT P43490 3/20 0.68
HDAC3 O15379 4/20 0.65
HDAC2 Q92769 4/20 0.65
HDAC4 P56524 3/20 0.65
HDAC7 Q8WUI4 3/20 0.65
HDAC10 Q969S8 3/20 0.65
HDAC11 Q96DB2 3/20 0.65
HDAC8 Q9BY41 3/20 0.65
HDAC6 Q9UBN7 3/20 0.65
HDAC9 Q9UKV0 3/20 0.65
HDAC5 Q9UQL6 3/20 0.65
NCOR2 Q9Y618 2/20 0.65
CYP3A4 P08684 2/20 0.65
KDM1A O60341 1/20 0.65
F3 P13726 1/20 0.65
HTT P42858 3/20 0.60
LMNA P02545 3/20 0.60
KMT2A Q03164 2/20 0.59
MEN1 O00255 1/20 0.59

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
SCHEMBL2413773 0.90 HDAC1 (0.65) HDAC1NAMPTHDAC3HDAC2HDAC4
SCHEMBL2409819 0.84 HDAC1 (0.72) HDAC1NAMPTHDAC3HDAC2HDAC4
SCHEMBL2413513 0.83 HDAC1 (0.77) HDAC1NAMPTHDAC3HDAC2HDAC4
SCHEMBL2412421 0.83 HDAC1 (0.84) HDAC1NAMPTHDAC3HDAC2HDAC4
SCHEMBL2413377 0.82 HDAC1 (0.78) HDAC1NAMPTHDAC3HDAC2HDAC4
SCHEMBL1063181 0.82 HDAC1 (0.67) HDAC1NAMPTHDAC3HDAC2HDAC4
SCHEMBL28405903 0.81 HDAC1 (1.00) HDAC1NAMPTHDAC3HDAC2HDAC4
SCHEMBL2415852 0.81 HDAC1 (0.92) HDAC1NAMPTHDAC3HDAC2HDAC4
SCHEMBL6944020 0.81 PKM (0.66) NAMPTCYP3A4HTTLMNAKMT2A
SCHEMBL2419301 0.81 HDAC1 (0.60) HDAC1NAMPTHDAC3HDAC2HDAC4

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
EP-0974576-B1 Method of producing benzamide derivatives MITSUI CHEMICALS INC (JP) 2003-11-26 EP disclosed
US-6320078-B1 CONVERTING BENZOIC ACID DERIVATIVE INTO BENZOYLIMIDAZOLE DERIVATIVE, REACTING BENZOYLIMIDAZOLE DERIVATIVE WITH PHENYLENEDIAMINE DERIVATIVE TO PREPARE SELECTIVELY MONOACYLATED PHENYLENEDIAMINE DERIVATIVE MITSUI CHEMICALS, INC. (JP) 2001-11-20 US disclosed
EP-0974576-A2 Method of producing benzamide derivatives Mitsui Chemicals, Inc. (JP) 2000-01-26 EP disclosed