SCHEMBL8966029

SCHEMBL8966029

Nc1ccc(NCc2cc(Cl)cc(Cl)c2)cc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.47
ALDH1A1 P00352 4/20 0.47
POLB P06746 2/20 0.47
TDP1 Q9NUW8 4/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP3A4 P08684 1/20 0.46
ALOX15 P16050 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
TSHR P16473 1/20 0.44
EGFR P00533 1/20 0.43
ALDH3A1 P30838 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
HTR6 P50406 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 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
SCHEMBL20129837 0.82 HTR6 (0.60) MAPTALDH1A1POLBTDP1MEN1
SCHEMBL8966415 0.81 MAPT (0.55) MAPTALDH1A1POLBTDP1MEN1
SCHEMBL2236853 0.80 HTT (0.49) MAPTALDH1A1POLBTDP1MEN1
SCHEMBL20129851 0.80 TSHR (0.59) MAPTALDH1A1TDP1MEN1KMT2A
SCHEMBL8966005 0.80 MAPT (0.59) MAPTALDH1A1POLBMEN1KMT2A
SCHEMBL6151067 0.78 MAPT (0.50) MAPTALDH1A1POLBTDP1MEN1
SCHEMBL10385970 0.77 MAPT (0.59) MAPTALDH1A1POLBTDP1MEN1
SCHEMBL17761678 0.77 HTR6 (0.45) MAPTALDH1A1POLBTDP1MEN1
SCHEMBL8966735 0.77 FFAR1 (0.47) MAPTALDH1A1POLBTDP1MEN1
SCHEMBL31577304 0.77 MAPT (0.64) MAPTALDH1A1TDP1MEN1KMT2A

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