SCHEMBL8966005

SCHEMBL8966005

Nc1ccc(NCc2ccccc2Cl)cc1[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.59
MAPK1 P28482 2/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
ALDH1A1 P00352 4/20 0.58
ALDH3A1 P30838 1/20 0.52
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
PLA2G1B P04054 1/20 0.49
ATG4B Q9Y4P1 1/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
GAA P10253 2/20 0.49
KDM4E B2RXH2 1/20 0.49
NPC1 O15118 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
FFAR4 Q5NUL3 1/20 0.49
PRKCQ Q04759 4/20 0.48
POLB P06746 1/20 0.47

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
SCHEMBL8966415 0.86 MAPT (0.55) MAPTMAPK1L3MBTL1ALDH1A1ALDH3A1
SCHEMBL20129837 0.82 HTR6 (0.60) MAPTALDH1A1ALDH3A1MEN1KMT2A
SCHEMBL8966029 0.80 MAPT (0.47) MAPTL3MBTL1ALDH1A1ALDH3A1MEN1
SCHEMBL6151067 0.75 MAPT (0.50) MAPTMAPK1L3MBTL1ALDH1A1ALDH3A1
SCHEMBL7328985 0.75 MAPT (1.00) MAPTMAPK1L3MBTL1ALDH1A1MEN1
SCHEMBL10385970 0.74 MAPT (0.59) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL20129851 0.74 TSHR (0.59) MAPTMAPK1L3MBTL1ALDH1A1MEN1
SCHEMBL2236853 0.74 HTT (0.49) MAPTL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL5955396 0.74 NR4A2 (0.47) MAPTMAPK1L3MBTL1ALDH1A1MEN1
SCHEMBL17749098 0.74 PKM (0.53) MAPTL3MBTL1ALDH1A1MEN1KMT2A

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
EP-0554543-B1 1,2,4-Triaminobenzene derivatives and process for their preparation ASTA MEDICA AG (DE) 1996-02-28 EP disclosed
US-5384330-A Pharmaceutically active 1,2,4-triamino-benzene derivatives, processes for their preparation and pharmaceutical compositions containing them ASTA MEDICA AKTIENGESELLSCHAFT (DE) 1995-01-24 US disclosed
EP-0554543-A2 1,2,4-Triaminobenzene derivatives and process for their preparation ASTA Medica Aktiengesellschaft (DE) 1993-08-11 EP disclosed