SCHEMBL7803189

SCHEMBL7803189

Cn1cc[n+](CCNc2cc3c(cc2O)OCO3)c1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
INSR P06213 1/20 0.32
IGF1R P08069 1/20 0.32
SRC P12931 1/20 0.32
TSHR P16473 1/20 0.30

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
SCHEMBL5242262 0.85 KDM4E (0.31) KDM4EALDH1A1TDP1
Hydrochloric Acid SCHEMBL7679186 0.83
SCHEMBL7809580 0.83 LMNA (0.35) KDM4EALDH1A1TDP1
SCHEMBL8104608 0.83
Hydrochloric Acid SCHEMBL7717328 0.82
SCHEMBL7811774 0.81 KMT2A (0.33) KDM4EALDH1A1TDP1IGF1R
SCHEMBL7803210 0.81 KCNH2 (0.35) TDP1TSHR
SCHEMBL7803407 0.81 MAPT (0.41) KDM4EALDH1A1TDP1SRC
Hydrochloric Acid SCHEMBL7672524 0.81 KMT2A (0.33) KDM4EALDH1A1TDP1IGF1R
Hydrochloric Acid SCHEMBL7675603 0.80 KCNH2 (0.34) TDP1TSHR

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 6 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 claimed
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 claimed
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 claimed
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