SCHEMBL6940722

SCHEMBL6940722

CC(=O)Nc1cc(Cl)c(NC(=O)C[n+]2ccccc2)cc1O

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.52
ALDH1A1 P00352 6/20 0.51
KMT2A Q03164 4/20 0.51
POLB P06746 3/20 0.51
MAPK1 P28482 2/20 0.51
MEN1 O00255 2/20 0.51
MAPT P10636 1/20 0.51
RAB9A P51151 1/20 0.51
CYP2D6 P10635 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSP90AA1 P07900 2/20 0.42
HTT P42858 3/20 0.42
CYP2C9 P11712 1/20 0.40
BACE1 P56817 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
SCHEMBL6945410 1.00 L3MBTL1 (0.52) L3MBTL1ALDH1A1KMT2APOLBMAPK1
Hydrochloric Acid SCHEMBL6939831 0.99 L3MBTL1 (0.54) L3MBTL1ALDH1A1KMT2APOLBMAPK1
Hydrochloric Acid SCHEMBL6939692 0.99 L3MBTL1 (0.54) L3MBTL1ALDH1A1KMT2APOLBMAPK1
SCHEMBL6944750 0.88 ALDH1A1 (0.52) L3MBTL1ALDH1A1KMT2APOLBMAPK1
SCHEMBL6939433 0.88 ALDH1A1 (0.52) L3MBTL1ALDH1A1KMT2APOLBMAPK1
Hydrochloric Acid SCHEMBL6946536 0.86 ALDH1A1 (0.54) L3MBTL1ALDH1A1KMT2APOLBMAPK1
Hydrochloric Acid SCHEMBL6938942 0.86 ALDH1A1 (0.54) L3MBTL1ALDH1A1KMT2APOLBMAPK1
SCHEMBL6941684 0.84 ALDH1A1 (0.53) L3MBTL1ALDH1A1KMT2APOLBMAPK1
SCHEMBL6573931 0.84 L3MBTL1 (0.49) L3MBTL1ALDH1A1KMT2APOLBMAPK1
Hydrochloric Acid SCHEMBL6941748 0.83 ALDH1A1 (0.56) L3MBTL1ALDH1A1KMT2APOLBMAPK1

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