SCHEMBL6176918

SCHEMBL6176918

O=C(O)NCc1cccc(Oc2cc(OCc3ccccc3)ccc2[N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.50
BACE1 P56817 1/20 0.48
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
MEN1 O00255 6/20 0.47
KMT2A Q03164 6/20 0.47
MAPT P10636 5/20 0.46
BCHE P06276 1/20 0.46
F10 P00742 1/20 0.44
RAB9A P51151 2/20 0.44
CTSV O60911 1/20 0.44
CTSL P07711 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL6178811 0.84 HPGD (0.51) FFAR1MEN1KMT2AMAPTRAB9A
SCHEMBL25247564 0.82 BCHE (0.67) FFAR1HDAC3HDAC1HDAC2HDAC10
SCHEMBL5205997 0.79 PTGES (0.45) FFAR1BACE1MEN1KMT2AMAPT
SCHEMBL7907625 0.78 MEN1 (0.54) BACE1MEN1KMT2AMAPTRAB9A
SCHEMBL30061165 0.77 MEN1 (0.54) BACE1MEN1KMT2AMAPTF10
SCHEMBL646471 0.77 MEN1 (0.54) BACE1MEN1KMT2AMAPTF10
SCHEMBL7552860 0.77 MEN1 (0.53) BACE1MEN1KMT2AMAPTRAB9A
SCHEMBL30035870 0.76 FFAR1 (0.59) FFAR1MEN1KMT2ARAB9A
SCHEMBL27490731 0.75 BACE1 (0.52) BACE1MEN1KMT2AMAPTRAB9A
SCHEMBL2191978 0.75 MAPT (0.49) MEN1KMT2AMAPTF10RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1123918-B1 AROMATIC AMINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND AGENTS CONTAINING THE SAME TAKEDA PHARMACEUTICAL (JP) 2005-03-09 EP disclosed
EP-1123918-A1 AROMATIC AMINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND AGENTS CONTAINING THE SAME Takeda Chemical Industries, Ltd. (JP) 2001-08-16 EP disclosed