SCHEMBL5205639

SCHEMBL5205639

CC(C)(C)OC(=O)NCCc1cccc(Oc2cc(Cl)ccc2[N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPT P10636 2/20 0.46
MAPK1 P28482 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
KDM4E B2RXH2 1/20 0.44
IDO1 P14902 1/20 0.43
CNR1 P21554 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TBXA2R P21731 2/20 0.41
FDFT1 P37268 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL5205241 0.84 KDM4E (0.46) LMNAMEN1KMT2AMAPTMAPK1
SCHEMBL25834083 0.78 KDM4E (0.63) LMNAMEN1KMT2AMAPTMAPK1
SCHEMBL6178811 0.78 HPGD (0.51) LMNAMEN1KMT2AMAPTNPC1
SCHEMBL5354570 0.77 FDFT1 (0.57) IDO1FDFT1
SCHEMBL5208318 0.77 HDAC1 (0.43) KDM4ECNR1SMN1; SMN2
SCHEMBL3064038 0.76 ALDH1A1 (0.54) LMNAMEN1KMT2AMAPTMAPK1
SCHEMBL21090366 0.76 FDFT1 (0.47) KDM4EIDO1CNR1FDFT1
SCHEMBL5204827 0.76 TDP1 (0.41) LMNAMEN1KMT2AMAPTL3MBTL1
SCHEMBL5202388 0.76 CNR1 (0.40) MEN1KMT2AMAPTKDM4ECNR1
SCHEMBL6175335 0.75 TDP1 (0.47) LMNAMEN1KMT2AMAPTMAPK1

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
US-7160887-B1 Aromatic amine derivatives, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-09 US disclosed
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