SCHEMBL6573697

SCHEMBL6573697

Nc1ccc(N(O)C(=O)Cn2cc[n+](CC(=O)N(O)c3ccc(N)cc3)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
RECQL P46063 1/20 0.42
HSP90AA1 P07900 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP19A1 P11511 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 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 SCHEMBL6572948 0.99 MEN1 (0.41) MEN1KMT2ARECQLHSP90AA1SMN1; SMN2
SCHEMBL6575308 0.94 MEN1 (0.38) MEN1KMT2ARECQLHSP90AA1SMN1; SMN2
Hydrochloric Acid SCHEMBL6572737 0.93 MEN1 (0.38) MEN1KMT2ARECQLHSP90AA1SMN1; SMN2
SCHEMBL6572677 0.87 MEN1 (0.42) MEN1KMT2ARECQLHSP90AA1SMN1; SMN2
SCHEMBL6574295 0.86 KMT2A (0.53) MEN1KMT2ARECQLHSP90AA1SMN1; SMN2
Hydrochloric Acid SCHEMBL6575342 0.86 MEN1 (0.41) MEN1KMT2ARECQLHSP90AA1SMN1; SMN2
SCHEMBL6572935 0.84 MEN1 (0.38) MEN1KMT2ARECQL
SCHEMBL6575602 0.84 MEN1 (0.40) MEN1KMT2ARECQL
Hydrochloric Acid SCHEMBL6572788 0.83 MEN1 (0.38) MEN1KMT2ARECQL
SCHEMBL6944878 0.83 LMNA (0.45) MEN1KMT2ARECQLHSP90AA1SMN1; 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 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-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
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 disclosed
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 disclosed