SCHEMBL7016346

SCHEMBL7016346

CC(=O)Nc1cccc2c(O)c(NC(=O)Cn3cc[n+](C)c3)ccc12

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.38
LMNA P02545 3/20 0.38
MAPK1 P28482 3/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
EP300 Q09472 1/20 0.34
ERCC1 P07992 1/20 0.34
FEN1 P39748 1/20 0.34
ERCC4 Q92889 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL7016732 1.00 HPGD (0.38) HPGDLMNAMAPK1MAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL7024036 0.99 HPGD (0.37) HPGDLMNAMAPK1MAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL5479669 0.99 HPGD (0.37) HPGDLMNAMAPK1MAPTSMN1; SMN2
SCHEMBL7022184 0.96 HPGD (0.40) HPGDLMNAMAPK1MAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL7099721 0.95 HPGD (0.40) HPGDLMNAMAPK1MAPTSMN1; SMN2
SCHEMBL6938789 0.90 HPGD (0.43) HPGDLMNAMAPK1MAPTSMN1; SMN2
SCHEMBL7015860 0.90 ALDH1A1 (0.39) HPGDLMNAMAPK1MAPTSMN1; SMN2
SCHEMBL7013296 0.90 ALDH1A1 (0.39) HPGDLMNAMAPK1MAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL6942071 0.89 HPGD (0.42) HPGDLMNAMAPK1MAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL7019764 0.89 ALDH1A1 (0.39) HPGDLMNAMAPK1MAPTSMN1; SMN2

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-1066246-B1 NOVEL CATIONIC COUPLERS AND THEIR USE FOR OXIDATION DYEING OREAL (FR) 2003-11-05 EP claimed
EP-1066246-A1 NOVEL CATIONIC COUPLERS AND THEIR USE FOR OXIDATION DYEING L'OREAL (FR) 2001-01-10 EP claimed
WO-2000043356-A1 NOVEL CATIONIC COUPLERS AND THEIR USE FOR OXIDATION DYEING L'OREAL (FR) 2000-07-27 WO claimed
EP-1066246-B1 NOVEL CATIONIC COUPLERS AND THEIR USE FOR OXIDATION DYEING OREAL (FR) 2003-11-05 EP disclosed
EP-1066246-A1 NOVEL CATIONIC COUPLERS AND THEIR USE FOR OXIDATION DYEING L'OREAL (FR) 2001-01-10 EP disclosed
WO-2000043356-A1 NOVEL CATIONIC COUPLERS AND THEIR USE FOR OXIDATION DYEING L'OREAL (FR) 2000-07-27 WO disclosed