SCHEMBL5205037

SCHEMBL5205037

NCc1cccc(Oc2ccccc2[N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
RECQL P46063 2/20 0.48
MAPT P10636 2/20 0.48
MAPK1 P28482 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CETP P11597 1/20 0.48
HPGD P15428 1/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
F10 P00742 2/20 0.47
ALDH1A1 P00352 4/20 0.45
TDP1 Q9NUW8 2/20 0.45
LTA4H P09960 2/20 0.44
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
LMNA P02545 1/20 0.44
PLA2G2A P14555 1/20 0.43
KDM4E B2RXH2 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL5339430 0.87 MAPT (0.47) KMT2AMEN1RECQLMAPTMAPK1
Hydrochloric Acid SCHEMBL5346749 0.85 MAPT (0.46) KMT2AMEN1RECQLMAPTMAPK1
SCHEMBL10360452 0.85 L3MBTL1 (0.59) KMT2AMEN1RECQLMAPTMAPK1
SCHEMBL5355976 0.84 PDE7A (0.47) KMT2AMEN1RECQLMAPTMAPK1
SCHEMBL5354129 0.84 F10 (0.45) KMT2AMEN1MAPTNPC1F10
SCHEMBL5349810 0.83 MAOB (0.49) KMT2AMEN1MAPTNPC1RAB9A
Hydrochloric Acid SCHEMBL5344195 0.83 PDE7A (0.46) KMT2AMEN1RECQLMAPTMAPK1
Hydrochloric Acid SCHEMBL5346084 0.83 F10 (0.44) KMT2AMEN1MAPTL3MBTL1NPC1
SCHEMBL5235318 0.82 PTGDR2 (0.54) KMT2AMEN1RECQLMAPTMAPK1
Hydrochloric Acid SCHEMBL5344266 0.82 MAOB (0.50) KMT2AMEN1MAPTNPC1RAB9A

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