SCHEMBL6151518

SCHEMBL6151518

Cn1cc[n+](CCNc2ccc(N)c([N+](=O)[O-])c2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
MAPT P10636 8/20 0.38
ALDH1A1 P00352 6/20 0.38
HTT P42858 3/20 0.38
GAA P10253 2/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 6/20 0.38
KMT2A Q03164 6/20 0.38
TDP1 Q9NUW8 4/20 0.38
POLB P06746 2/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HTR6 P50406 1/20 0.36
RAB9A P51151 1/20 0.35
PKM P14618 1/20 0.34
GLA P06280 1/20 0.34

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
Hydrochloric Acid SCHEMBL7662031 0.99 TSHR (0.38) TSHRFFAR4MAPTALDH1A1HTT
SCHEMBL5718499 0.83 MAPT (0.48) MAPTALDH1A1HTTGAAHPGD
Bromide SCHEMBL5718408 0.82 MAPT (0.47) MAPTALDH1A1HTTGAAHPGD
SCHEMBL6151810 0.81 MAPT (0.42) TSHRMAPTALDH1A1MEN1KMT2A
SCHEMBL6152229 0.80 MAPT (0.41) TSHRMAPTALDH1A1SMN1; SMN2MEN1
Bromide SCHEMBL7665909 0.80 MAPT (0.41) TSHRMAPTALDH1A1MEN1KMT2A
Bromide SCHEMBL7666289 0.79 MAPT (0.40) TSHRMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL6151858 0.79 MAPT (0.40) MAPTALDH1A1TDP1LMNA
Hydrochloric Acid SCHEMBL7667033 0.79 MAPT (0.40) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
Bromide SCHEMBL7671249 0.78 MAPT (0.40) MAPTALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1018508-B1 Cationic monobenzenic nitrophenylene diamines, their use for dyeing keratinic fibres, dye compositions containing them and dye processes OREAL (FR) 2005-05-04 EP disclosed
EP-1018508-A1 Cationic monobenzenic nitrophenylene diamines, their use for dyeing keratinic fibres, dye compositions containing them and dye processes L'OREAL (FR) 2000-07-12 EP disclosed