SCHEMBL7809580

SCHEMBL7809580

COc1cc2c(cc1NCC[n+]1ccn(C)c1)OCO2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
HPGD P15428 2/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PDE5A O76074 3/20 0.33
POLB P06746 1/20 0.33
MAPK9 P45984 1/20 0.32
GLRA3 O75311 1/20 0.32
GLRB P48167 1/20 0.32
HTR1A P08908 1/20 0.32
PDE2A O00408 1/20 0.32
PDE1A P54750 1/20 0.32
PDE1B Q01064 1/20 0.32
PDE1C Q14123 1/20 0.32

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
SCHEMBL7811774 0.89 KMT2A (0.33) LMNAHPGDMEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL7672524 0.88 KMT2A (0.33) LMNAHPGDMEN1KMT2AKDM4E
SCHEMBL7803210 0.86 KCNH2 (0.35) TDP1KCNH2
Hydrochloric Acid SCHEMBL7675603 0.85 KCNH2 (0.34) TDP1KCNH2
SCHEMBL7803189 0.83 KDM4E (0.33) KDM4EALDH1A1TDP1
SCHEMBL5242262 0.83 KDM4E (0.31) KDM4EALDH1A1TDP1
SCHEMBL7809937 0.82
SCHEMBL7809940 0.82
Hydrochloric Acid SCHEMBL7672420 0.81
Hydrochloric Acid SCHEMBL7679186 0.81

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