SCHEMBL28060641

SCHEMBL28060641

CNc1ccc(NCCN)cc1[N+](=O)[O-].COc1ccc(NCCN)c([N+](=O)[O-])c1.C[CH]N

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 3/20 0.46
MAPT P10636 7/20 0.46
ALDH1A1 P00352 4/20 0.46
KMT2A Q03164 3/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
AKR1C3 P42330 1/20 0.45
AKR1C2 P52895 1/20 0.45
MEN1 O00255 2/20 0.43
RAB9A P51151 1/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
THRB P10828 1/20 0.43
HTT P42858 1/20 0.43
HTR6 P50406 1/20 0.43
ALDH3A1 P30838 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
SCHEMBL2472513 0.85 KAT2B (0.60) KAT2BMAPTALDH1A1KMT2ALMNA
Hydrochloric Acid SCHEMBL10781769 0.84 KAT2B (0.61) KAT2BMAPTALDH1A1KMT2ALMNA
SCHEMBL2467529 0.84 HTT (0.57) KAT2BMAPTALDH1A1KMT2ALMNA
SCHEMBL2471381 0.80 MAPT (0.60) KAT2BMAPTALDH1A1KMT2ALMNA
SCHEMBL2469818 0.78 KAT2B (0.58) KAT2BMAPTALDH1A1KMT2ALMNA
SCHEMBL430629 0.78 MAPT (0.59) MAPTALDH1A1KMT2ALMNASMN1; SMN2
SCHEMBL29392855 0.76 KAT2B (0.59) KAT2BMAPTALDH1A1KMT2ALMNA
SCHEMBL111539 0.76 KAT2B (0.59) KAT2BMAPTALDH1A1KMT2ALMNA
Hydrochloric Acid SCHEMBL141377 0.75 KAT2B (0.61) KAT2BMAPTALDH1A1KMT2ALMNA
SCHEMBL7095920 0.75 ALDH1A1 (0.60) KAT2BMAPTALDH1A1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105828882-A Packaging article comprising an envelope and an anhydrous dye composition comprising a direct dye, use thereof and process for dyeing keratin fibres 莱雅公司 2016-08-03 CN disclosed