SCHEMBL6573839

SCHEMBL6573839

O=C(Cn1cc[n+](CC(=O)N(O)c2cccc(Cl)c2)c1)N(O)c1cccc(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
RECQL P46063 1/20 0.44
HSP90AA1 P07900 1/20 0.37
ALDH1A1 P00352 3/20 0.34
HTT P42858 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CACNA2D1 P54289 1/20 0.34
CACNA1B Q00975 1/20 0.34
CACNB1 Q02641 1/20 0.34
CACNA1C Q13936 1/20 0.34
MAPT P10636 4/20 0.33
NPC1 O15118 2/20 0.33
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
LMNA P02545 1/20 0.31
ATM Q13315 1/20 0.31

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 SCHEMBL6572775 0.99 MEN1 (0.43) MEN1KMT2ARECQLHSP90AA1ALDH1A1
SCHEMBL6574295 0.85 KMT2A (0.53) MEN1KMT2ARECQLHSP90AA1ALDH1A1
SCHEMBL6941368 0.84 LMNA (0.44) MEN1KMT2AHSP90AA1ALDH1A1HTT
Hydrochloric Acid SCHEMBL6944298 0.83 LMNA (0.43) MEN1KMT2AHSP90AA1ALDH1A1HTT
SCHEMBL6572944 0.83 MTNR1B (0.40) MEN1KMT2ARECQL
SCHEMBL6572935 0.82 MEN1 (0.38) MEN1KMT2ARECQL
SCHEMBL6572105 0.81 MEN1 (0.38) MEN1KMT2ARECQLHSP90AA1ALDH1A1
Hydrochloric Acid SCHEMBL6572788 0.81 MEN1 (0.38) MEN1KMT2ARECQL
SCHEMBL7805090 0.81 HTR7 (0.40) MEN1KMT2ARECQLHSP90AA1ALDH1A1
Hydrochloric Acid SCHEMBL6572670 0.81 MEN1 (0.37) MEN1KMT2ARECQLHSP90AA1ALDH1A1

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