SCHEMBL7803407

SCHEMBL7803407

Cn1cc[n+](CCNc2cc3c(cc2[N+](=O)[O-])OCO3)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.41
ALDH1A1 P00352 9/20 0.41
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
TDP1 Q9NUW8 3/20 0.41
POLB P06746 3/20 0.39
MCL1 Q07820 1/20 0.39
GAA P10253 4/20 0.37
MAPK1 P28482 1/20 0.37
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C19 P33261 2/20 0.35
TAAR1 Q96RJ0 1/20 0.35
KDM4E B2RXH2 4/20 0.35
NR4A1 P22736 1/20 0.34
RECQL P46063 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 SCHEMBL7671324 0.99 MAPT (0.40) MAPTALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL5242262 0.81 KDM4E (0.31) ALDH1A1TDP1KDM4E
SCHEMBL7803189 0.81 KDM4E (0.33) ALDH1A1TDP1KDM4ESRC
Hydrochloric Acid SCHEMBL7672516 0.80 KDM4E (0.32) ALDH1A1TDP1KDM4ESRC
Hydrochloric Acid SCHEMBL5481941 0.80 KDM4E (0.30) ALDH1A1TDP1KDM4E
SCHEMBL7809580 0.79 LMNA (0.35) MAPTALDH1A1KMT2AMEN1L3MBTL1
Hydrochloric Acid SCHEMBL7679186 0.79
Hydrochloric Acid SCHEMBL7677754 0.78 LMNA (0.34) MAPTALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL7811774 0.77 KMT2A (0.33) MAPTALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL6151810 0.77 MAPT (0.42) MAPTALDH1A1KMT2AMEN1L3MBTL1

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-1066281-B1 CATIONIC METHYLENEDIOXY BENZENES, THEIR USE FOR OXIDATION DYEING OF KERATIN FIBRES, DYEING COMPOSITIONS AND METHODS OREAL (FR) 2001-10-31 EP disclosed
EP-1066281-A1 CATIONIC METHYLENEDIOXY BENZENES, THEIR USE FOR OXIDATION DYEING OF KERATIN FIBRES, DYEING COMPOSITIONS AND METHODS L'OREAL (FR) 2001-01-10 EP disclosed
WO-2000043388-A1 CATIONIC METHYLENEDIOXY BENZENES, THEIR USE FOR OXIDATION DYEING OF KERATIN FIBRES, DYEING COMPOSITIONS AND METHODS L'OREAL (FR) 2000-07-27 WO disclosed