SCHEMBL3397565

SCHEMBL3397565

COc1ccccc1Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.64
PKM P14618 1/20 0.64
RECQL P46063 1/20 0.64
DUSP3 P51452 1/20 0.64
PTPN5 P54829 1/20 0.64
PTPN11 Q06124 1/20 0.64
MAPK1 P28482 5/20 0.59
ALDH1A1 P00352 5/20 0.59
L3MBTL1 Q9Y468 4/20 0.59
MEN1 O00255 5/20 0.57
KMT2A Q03164 5/20 0.57
GAA P10253 1/20 0.57
HPGD P15428 1/20 0.57
ALOX12 P18054 1/20 0.57
TDP1 Q9NUW8 1/20 0.52
LMNA P02545 1/20 0.51
POLB P06746 1/20 0.51
AKR1C3 P42330 1/20 0.51
AKR1C2 P52895 1/20 0.51
RORC P51449 1/20 0.51

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
SCHEMBL13265979 0.85 KMT2A (0.67) MAPTPKMMAPK1ALDH1A1MEN1
SCHEMBL11344666 0.84 ALDH1A1 (0.58) MAPTPKMRECQLDUSP3PTPN5
SCHEMBL5923796 0.83 MAPT (0.81) MAPTRECQLMAPK1ALDH1A1L3MBTL1
SCHEMBL11331546 0.82 MAPT (0.62) MAPTPKMRECQLDUSP3PTPN5
SCHEMBL28401848 0.80 ALDH1A1 (0.73) MAPTMAPK1ALDH1A1MEN1KMT2A
SCHEMBL2309092 0.80 MAPT (0.74) MAPTPKMRECQLDUSP3PTPN5
SCHEMBL11025851 0.79 L3MBTL1 (0.62) MAPTPKMRECQLMAPK1ALDH1A1
SCHEMBL30499873 0.79 L3MBTL1 (0.62) MAPTPKMRECQLMAPK1ALDH1A1
Nitrobenzene SCHEMBL10437487 0.78 MAPT (0.48) MAPTPKMRECQLDUSP3PTPN5
SCHEMBL7993363 0.78 ALDH1A1 (0.54) MAPTPKMRECQLDUSP3PTPN5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2247558-A1 NOVEL IMAGING AGENTS FOR DETECTING NEUROLOGICAL DYSFUNCTION Siemens Medical Solutions USA, Inc. (US) 2010-11-10 EP disclosed
WO-2009102498-A1 NOVEL IMAGING AGENTS FOR DETECTING NEUROLOGICAL DYSFUNCTION SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2009-08-20 WO disclosed
US-4304939-A Preparation of N-phenyl-N-alkylphenylenediamines UOP INC. (US) 1981-12-08 US disclosed
EP-0011790-B1 PROCESS FOR THE PREPARATION OF NITRODIPHENYL AMINE DERIVATIVES BAYER AG (DE) 1981-07-15 EP disclosed
US-4238407-A Process for the preparation of nitro diphenyl amine derivatives BAYER AKTIENGESELLSCHAFT (DE) 1980-12-09 US disclosed
EP-0011790-A1 Process for the preparation of nitrodiphenyl amine derivatives BAYER AG (DE) 1980-06-11 EP disclosed