SCHEMBL6940422

SCHEMBL6940422

CC(=O)Nc1c(Cl)cc(NC(=O)C[n+]2ccccc2)c(O)c1Cl

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.55
KMT2A Q03164 5/20 0.55
L3MBTL1 Q9Y468 3/20 0.55
POLB P06746 3/20 0.55
MAPK1 P28482 2/20 0.55
MEN1 O00255 2/20 0.55
MAPT P10636 1/20 0.55
RAB9A P51151 1/20 0.55
HTT P42858 3/20 0.43
LMNA P02545 1/20 0.42
HSP90AA1 P07900 2/20 0.40
BACE1 P56817 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38

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 SCHEMBL6941793 0.99 ALDH1A1 (0.57) ALDH1A1KMT2AL3MBTL1POLBMAPK1
SCHEMBL6940677 0.88 KMT2A (0.56) ALDH1A1KMT2AL3MBTL1POLBMAPK1
Hydrochloric Acid SCHEMBL6941980 0.87 KMT2A (0.58) ALDH1A1KMT2AL3MBTL1POLBMAPK1
SCHEMBL6944637 0.84 ALDH1A1 (0.52) ALDH1A1KMT2AL3MBTL1POLBMAPK1
Hydrochloric Acid SCHEMBL6942166 0.82 ALDH1A1 (0.54) ALDH1A1KMT2AL3MBTL1POLBMAPK1
SCHEMBL6573675 0.81 ALDH1A1 (0.36) ALDH1A1KMT2AL3MBTL1POLBMAPK1
SCHEMBL6942738 0.81 ALDH1A1 (0.52) ALDH1A1KMT2AL3MBTL1POLBMAPK1
Hydrochloric Acid SCHEMBL6572714 0.80 ALDH1A1 (0.37) ALDH1A1KMT2AL3MBTL1POLBMAPK1
SCHEMBL6945410 0.80 L3MBTL1 (0.52) ALDH1A1KMT2AL3MBTL1POLBMAPK1
SCHEMBL6940722 0.80 L3MBTL1 (0.52) ALDH1A1KMT2AL3MBTL1POLBMAPK1

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