SCHEMBL7808048

SCHEMBL7808048

Cn1cc[n+](CCNc2ccc3c(c2)OCO3)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.44
ALDH1A1 P00352 8/20 0.44
SMN1; SMN2 Q16637 8/20 0.44
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
KDM4E B2RXH2 4/20 0.44
HTT P42858 4/20 0.44
CASP1 P29466 3/20 0.44
USP2 O75604 2/20 0.44
HBB P68871 2/20 0.44
LMNA P02545 1/20 0.44
THRB P10828 1/20 0.44
HPGD P15428 1/20 0.44
ALOX12 P18054 1/20 0.44
MAPK1 P28482 1/20 0.44
CASP7 P55210 1/20 0.44
GAA P10253 6/20 0.42
INSR P06213 2/20 0.42
IGF1R P08069 2/20 0.42
SRC P12931 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
Hydrochloric Acid SCHEMBL7677951 0.99 MAPT (0.43) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL7803189 0.79 KDM4E (0.33) ALDH1A1KDM4EINSRIGF1RSRC
SCHEMBL7809580 0.77 LMNA (0.35) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL7803407 0.75 MAPT (0.41) MAPTALDH1A1MEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL7672524 0.75 KMT2A (0.33) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL2930175 0.74 TUBB4A (0.37) MAPTALDH1A1MEN1KMT2AHTT
SCHEMBL2923345 0.74 APP (0.36) MAPT
Hydrochloric Acid SCHEMBL7671324 0.74 MAPT (0.40) MAPTALDH1A1MEN1KMT2AKDM4E
Bromide SCHEMBL6570178 0.73 TUBB4A (0.36) MAPTALDH1A1MEN1KMT2AHTT
Bromide SCHEMBL6267968 0.73 APP (0.35) MAPT

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