SCHEMBL7811774

SCHEMBL7811774

CCOc1cc2c(cc1NCC[n+]1ccn(C)c1)OCO2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.33
MEN1 O00255 4/20 0.33
RAB9A P51151 2/20 0.33
HPGD P15428 2/20 0.33
POLB P06746 1/20 0.33
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
IGF1R P08069 1/20 0.32
ALDH1A1 P00352 4/20 0.32
KDM4E B2RXH2 1/20 0.32
TDP1 Q9NUW8 3/20 0.32
MAPT P10636 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
MAPK1 P28482 1/20 0.32
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31

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 SCHEMBL7672524 0.99 KMT2A (0.33) KMT2AMEN1RAB9AHPGDPOLB
SCHEMBL7809580 0.89 LMNA (0.35) KMT2AMEN1HPGDPOLBALDH1A1
SCHEMBL7803210 0.88 KCNH2 (0.35) TDP1
Hydrochloric Acid SCHEMBL7677754 0.88 LMNA (0.34) KMT2AMEN1HPGDPOLBALDH1A1
Hydrochloric Acid SCHEMBL7675603 0.87 KCNH2 (0.34) TDP1
SCHEMBL5242262 0.81 KDM4E (0.31) ALDH1A1KDM4ETDP1
SCHEMBL7803189 0.81 KDM4E (0.33) IGF1RALDH1A1KDM4ETDP1
Hydrochloric Acid SCHEMBL7672516 0.81 KDM4E (0.32) IGF1RALDH1A1KDM4ETDP1
Hydrochloric Acid SCHEMBL5481941 0.81 KDM4E (0.30) ALDH1A1KDM4ETDP1
Hydrochloric Acid SCHEMBL7679186 0.80

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