SCHEMBL5201443

SCHEMBL5201443

O=C(O)Cc1ccc(Oc2ccccc2[N+](=O)[O-])cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.52
LTA4H P09960 1/20 0.50
PTGS1 P23219 1/20 0.50
PTGS2 P35354 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
POLB P06746 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
ALDH1A1 P00352 5/20 0.49
KMT2A Q03164 2/20 0.49
ESR2 Q92731 1/20 0.49
MEN1 O00255 1/20 0.49
HPGD P15428 1/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
RECQL P46063 1/20 0.47
NR3C1 P04150 1/20 0.47
HTT P42858 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
SCHEMBL5235318 0.85 PTGDR2 (0.54) L3MBTL1POLBALDH1A1KMT2AESR2
SCHEMBL5204961 0.85 L3MBTL1 (0.51) LTA4HPTGS1PTGS2L3MBTL1POLB
SCHEMBL6178891 0.82 HPGD (0.54) LTA4HPTGS1PTGS2L3MBTL1POLB
SCHEMBL238962 0.81 L3MBTL1 (0.62) LTA4HPTGS1PTGS2L3MBTL1POLB
SCHEMBL10855250 0.81 HPGD (0.55) LTA4HPTGS1PTGS2L3MBTL1POLB
SCHEMBL8456613 0.81 HPSE (0.58) SRD5A2LTA4HPTGS1PTGS2L3MBTL1
SCHEMBL6429072 0.80 PTGS1 (0.51) LTA4HPTGS1PTGS2L3MBTL1POLB
SCHEMBL6368433 0.80 PTGS1 (0.51) LTA4HPTGS1PTGS2L3MBTL1POLB
SCHEMBL6176332 0.80 L3MBTL1 (0.48) LTA4HPTGS1PTGS2L3MBTL1POLB
SCHEMBL7021137 0.79 L3MBTL1 (0.56) LTA4HPTGS1PTGS2L3MBTL1TDP1

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