SCHEMBL6941687

SCHEMBL6941687

CC(=O)Nc1cccc(O)c1NC(=O)C[n+]1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
ALDH1A1 P00352 3/20 0.50
MAPK1 P28482 2/20 0.50
POLB P06746 2/20 0.50
MEN1 O00255 1/20 0.50
MAPT P10636 1/20 0.50
RAB9A P51151 1/20 0.50
HSP90AA1 P07900 4/20 0.46
BACE1 P56817 2/20 0.43
HTT P42858 1/20 0.41
LMNA P02545 1/20 0.40

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 SCHEMBL6942957 0.99 KMT2A (0.52) KMT2AL3MBTL1ALDH1A1MAPK1POLB
SCHEMBL6944642 0.85 KMT2A (0.57) KMT2AL3MBTL1ALDH1A1MAPK1POLB
Hydrochloric Acid SCHEMBL6940793 0.83 KMT2A (0.59) KMT2AL3MBTL1ALDH1A1MAPK1POLB
SCHEMBL6946221 0.80 KMT2A (0.51) KMT2AL3MBTL1ALDH1A1MAPK1POLB
Hydrochloric Acid SCHEMBL7636177 0.80 KMT2A (0.39) KMT2AL3MBTL1ALDH1A1MAPK1POLB
Hydrochloric Acid SCHEMBL6944402 0.79 KMT2A (0.54) KMT2AL3MBTL1ALDH1A1MAPK1POLB
SCHEMBL249105 0.79 ALDH1A1 (0.52) KMT2AALDH1A1MAPK1POLBMEN1
SCHEMBL6944428 0.78 KMT2A (0.68) KMT2AL3MBTL1ALDH1A1MAPK1POLB
Hydrochloric Acid SCHEMBL7160930 0.78 KMT2A (0.53) KMT2AL3MBTL1ALDH1A1MAPK1POLB
SCHEMBL6944175 0.77 HSP90AA1 (0.54) KMT2AL3MBTL1ALDH1A1MAPK1POLB

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