SCHEMBL6943705

SCHEMBL6943705

COc1cc(NC(C)=O)c(O)cc1NC(=O)C[n+]1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.58
KMT2A Q03164 5/20 0.55
ALDH1A1 P00352 4/20 0.55
GAA P10253 1/20 0.53
MEN1 O00255 1/20 0.49
HSP90AA1 P07900 1/20 0.47
ATM Q13315 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
HTT P42858 1/20 0.44
MAPK1 P28482 2/20 0.43
MAPT P10636 2/20 0.43
AHR P35869 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
KDM4E B2RXH2 1/20 0.42
RECQL P46063 1/20 0.42
PKM P14618 1/20 0.41
BACE1 P56817 1/20 0.41

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
SCHEMBL6943678 1.00 POLB (0.58) POLBKMT2AALDH1A1GAAMEN1
Hydrochloric Acid SCHEMBL6941908 0.99 POLB (0.60) POLBKMT2AALDH1A1GAAMEN1
Hydrochloric Acid SCHEMBL6940856 0.99 POLB (0.60) POLBKMT2AALDH1A1GAAMEN1
SCHEMBL6940472 0.90 POLB (0.58) POLBKMT2AALDH1A1GAAMEN1
SCHEMBL6941219 0.90 POLB (0.58) POLBKMT2AALDH1A1GAAMEN1
Hydrochloric Acid SCHEMBL6942987 0.89 POLB (0.60) POLBKMT2AALDH1A1GAAMEN1
Hydrochloric Acid SCHEMBL6946096 0.89 POLB (0.60) POLBKMT2AALDH1A1GAAMEN1
SCHEMBL6941704 0.85 POLB (0.61) POLBKMT2AALDH1A1MEN1HSP90AA1
SCHEMBL6939452 0.85 POLB (0.61) POLBKMT2AALDH1A1MEN1HSP90AA1
SCHEMBL6573637 0.85 POLB (0.55) POLBKMT2AALDH1A1GAAMEN1

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-1066022-B1 COMPOSITIONS FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC COUPLER, NOVEL CATIONIC COUPLERS, THEIR USE FOR OXIDATION DYEING AND DYEING METHODS OREAL (FR) 2003-10-22 EP claimed
EP-1066022-A1 COMPOSITIONS FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC COUPLER, NOVEL CATIONIC COUPLERS, THEIR USE FOR OXIDATION DYEING AND DYEING METHODS L'OREAL (FR) 2001-01-10 EP claimed
WO-2000042979-A1 COMPOSITIONS FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC COUPLER, NOVEL CATIONIC COUPLERS, THEIR USE FOR OXIDATION DYEING AND DYEING METHODS L'OREAL (FR) 2000-07-27 WO claimed
EP-1066022-B1 COMPOSITIONS FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC COUPLER, NOVEL CATIONIC COUPLERS, THEIR USE FOR OXIDATION DYEING AND DYEING METHODS OREAL (FR) 2003-10-22 EP disclosed
EP-1066022-A1 COMPOSITIONS FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC COUPLER, NOVEL CATIONIC COUPLERS, THEIR USE FOR OXIDATION DYEING AND DYEING METHODS L'OREAL (FR) 2001-01-10 EP disclosed
WO-2000042979-A1 COMPOSITIONS FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC COUPLER, NOVEL CATIONIC COUPLERS, THEIR USE FOR OXIDATION DYEING AND DYEING METHODS L'OREAL (FR) 2000-07-27 WO disclosed