SCHEMBL6572876

SCHEMBL6572876

CC(=O)Nc1cc(O)c(NC(=O)Cn2cc[n+](CC(=O)Nc3cc(Cl)c(NC(C)=O)cc3O)c2)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.39
HPGD P15428 3/20 0.39
MAPK1 P28482 2/20 0.39
POLB P06746 2/20 0.38
CYP2D6 P10635 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP1A2 P05177 1/20 0.36
HTT P42858 4/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
RECQL P46063 1/20 0.34
KDM4E B2RXH2 2/20 0.34
CYP2C9 P11712 2/20 0.34
ALDH1A1 P00352 6/20 0.34
PGK1 P00558 1/20 0.34
TSHR P16473 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33

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 SCHEMBL6573898 0.99 POLB (0.40) LMNAHPGDMAPK1POLBCYP2D6
SCHEMBL7807367 0.89 HPGD (0.37) LMNAHPGDMAPK1POLBCYP2D6
Hydrochloric Acid SCHEMBL7635532 0.88 POLB (0.39) LMNAHPGDMAPK1POLBCYP2D6
Hydrochloric Acid SCHEMBL7630524 0.88 POLB (0.39) LMNAHPGDMAPK1POLBCYP2D6
SCHEMBL6572100 0.86 HPGD (0.43) LMNAHPGDMAPK1POLBCYP2D6
SCHEMBL6946185 0.86 LMNA (0.40) LMNAHPGDMAPK1POLBCYP2C19
Hydrochloric Acid SCHEMBL6939645 0.85 LMNA (0.39) LMNAHPGDMAPK1POLBCYP2C19
Hydrochloric Acid SCHEMBL6572664 0.85 HPGD (0.42) LMNAHPGDMAPK1POLBCYP2D6
SCHEMBL6572929 0.85 MAPK1 (0.38) LMNAHPGDMAPK1POLBCYP2D6
SCHEMBL7806175 0.85 ALDH1A1 (0.42) LMNAMAPK1POLBCYP2C19CYP1A2

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 1 patent. 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