SCHEMBL6573675

SCHEMBL6573675

CC(=O)Nc1c(Cl)cc(NC(=O)Cn2cc[n+](CC(=O)Nc3cc(Cl)c(NC(C)=O)c(Cl)c3O)c2)c(O)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
MAPK1 P28482 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
POLB P06746 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
LMNA P02545 3/20 0.35
HPGD P15428 3/20 0.34
HTT P42858 4/20 0.34
RECQL P46063 1/20 0.33
CYP2D6 P10635 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C9 P11712 1/20 0.31
HSP90AA1 P07900 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
BACE1 P56817 1/20 0.30

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 SCHEMBL6572714 0.99 ALDH1A1 (0.37) ALDH1A1MAPK1MEN1KMT2APOLB
Hydrochloric Acid SCHEMBL7628902 0.89 ALDH1A1 (0.38) ALDH1A1MAPK1MEN1KMT2APOLB
SCHEMBL6946387 0.87 HPGD (0.36) ALDH1A1MAPK1POLBL3MBTL1MAPT
Hydrochloric Acid SCHEMBL6942108 0.86 HPGD (0.35) ALDH1A1MAPK1POLBL3MBTL1MAPT
SCHEMBL6572970 0.86 HPGD (0.41) ALDH1A1MAPK1MEN1KMT2APOLB
Hydrochloric Acid SCHEMBL6573781 0.85 MAPK1 (0.40) ALDH1A1MAPK1MEN1KMT2APOLB
SCHEMBL6573660 0.84 KMT2A (0.34) ALDH1A1MAPK1MEN1KMT2APOLB
SCHEMBL6572876 0.84 LMNA (0.39) ALDH1A1MAPK1MEN1KMT2APOLB
Hydrochloric Acid SCHEMBL6572968 0.83 POLB (0.35) ALDH1A1MAPK1MEN1KMT2APOLB
Hydrochloric Acid SCHEMBL6573898 0.83 POLB (0.40) ALDH1A1MAPK1MEN1KMT2APOLB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1066263-B1 NOVEL CATIONIC 2-ACYLAMINOPHENOLS, THEIR USE AS COUPLER FOR OXIDATION DYEING, COMPOSITIONS CONTAINING THEM, AND DYEING METHODS OREAL (FR) 2004-05-26 EP claimed
EP-1066263-A1 NOVEL CATIONIC 2-ACYLAMINOPHENOLS, THEIR USE AS COUPLER FOR OXIDATION DYEING, COMPOSITIONS CONTAINING THEM, AND DYEING METHODS L'OREAL (FR) 2001-01-10 EP claimed
WO-2000043368-A1 NOVEL CATIONIC 2-ACYLAMINOPHENOLS, THEIR USE AS COUPLER FOR OXIDATION DYEING, COMPOSITIONS CONTAINING THEM, AND DYEING METHODS L'OREAL (FR) 2000-07-27 WO claimed
EP-1066263-B1 NOVEL CATIONIC 2-ACYLAMINOPHENOLS, THEIR USE AS COUPLER FOR OXIDATION DYEING, COMPOSITIONS CONTAINING THEM, AND DYEING METHODS OREAL (FR) 2004-05-26 EP disclosed