SCHEMBL6574119

SCHEMBL6574119

COc1cc(N(O)C(=O)Cn2cc[n+](CC(=O)N(O)c3ccc(N)c(OC)c3)c2)ccc1N

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 3/20 0.33
CYP3A4 P08684 2/20 0.33
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HTR4 Q13639 1/20 0.31
HTT P42858 1/20 0.31
GPX4 P36969 2/20 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 SCHEMBL6575297 0.99 KMT2A (0.36) MEN1RECQLKMT2AALDH1A1CYP3A4
SCHEMBL6574244 0.89 MEN1 (0.36) MEN1RECQLKMT2A
Hydrochloric Acid SCHEMBL6574235 0.88 MEN1 (0.36) MEN1RECQLKMT2A
SCHEMBL6939468 0.88 LMNA (0.39) ALDH1A1CYP3A4TSHRHSD17B10TDP1
Hydrochloric Acid SCHEMBL6941307 0.87 LMNA (0.38) ALDH1A1CYP3A4TSHRHSD17B10TDP1
SCHEMBL7805138 0.85 CYP1A2 (0.40) MEN1RECQLKMT2AALDH1A1CYP3A4
SCHEMBL6571520 0.85 CYP1A2 (0.40) MEN1RECQLKMT2AALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL6572979 0.84 CYP1A2 (0.39) MEN1RECQLKMT2AALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL7632203 0.84 CYP1A2 (0.39) MEN1RECQLKMT2AALDH1A1CYP3A4
SCHEMBL6572935 0.83 MEN1 (0.38) MEN1RECQLKMT2A

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