SCHEMBL6944265

SCHEMBL6944265

O=C(C[n+]1ccccc1)N(O)c1cccc(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 0.48
ALDH1A1 P00352 4/20 0.43
MAPT P10636 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
RAB9A P51151 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
POLB P06746 1/20 0.43
MAPK1 P28482 1/20 0.43
BACE1 P56817 1/20 0.43
HSP90AA1 P07900 2/20 0.40
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 2/20 0.38
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PTPRC P08575 1/20 0.36
PTPRG P23470 1/20 0.36
LMNA P02545 1/20 0.36
ATM Q13315 1/20 0.36

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 SCHEMBL6942158 0.99 PABPC1 (0.47) PABPC1ALDH1A1MAPTMEN1KMT2A
SCHEMBL6944437 0.82 HSP90AA1 (0.47) PABPC1ALDH1A1MAPTKMT2ARAB9A
SCHEMBL6940502 0.80 PABPC1 (0.42) PABPC1ALDH1A1MAPTMEN1KMT2A
SCHEMBL6573839 0.79 MEN1 (0.44) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL6941688 0.79 SMN1; SMN2 (0.45) PABPC1ALDH1A1MAPTMEN1KMT2A
SCHEMBL6940211 0.79 BACE1 (0.55) ALDH1A1MAPTMEN1KMT2ARAB9A
Hydrochloric Acid SCHEMBL6945717 0.79 KMT2A (0.44) PABPC1ALDH1A1MAPTMEN1KMT2A
SCHEMBL6942054 0.79 HSP90AA1 (0.48) POLBBACE1HSP90AA1LMNA
Hydrochloric Acid SCHEMBL6572775 0.79 MEN1 (0.43) ALDH1A1MAPTMEN1KMT2ARAB9A
Hydrochloric Acid SCHEMBL6938925 0.78 HSP90AA1 (0.50) KMT2APOLBBACE1HSP90AA1SMN1; 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-1066022-B1 COMPOSITIONS FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC COUPLER, NOVEL CATIONIC COUPLERS, THEIR USE FOR OXIDATION DYEING AND DYEING METHODS OREAL (FR) 2003-10-22 EP claimed
EP-1066022-A1 COMPOSITIONS FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC COUPLER, NOVEL CATIONIC COUPLERS, THEIR USE FOR OXIDATION DYEING AND DYEING METHODS L'OREAL (FR) 2001-01-10 EP claimed
WO-2000042979-A1 COMPOSITIONS FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC COUPLER, NOVEL CATIONIC COUPLERS, THEIR USE FOR OXIDATION DYEING AND DYEING METHODS L'OREAL (FR) 2000-07-27 WO claimed
EP-1066022-B1 COMPOSITIONS FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC COUPLER, NOVEL CATIONIC COUPLERS, THEIR USE FOR OXIDATION DYEING AND DYEING METHODS OREAL (FR) 2003-10-22 EP disclosed
EP-1066022-A1 COMPOSITIONS FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC COUPLER, NOVEL CATIONIC COUPLERS, THEIR USE FOR OXIDATION DYEING AND DYEING METHODS L'OREAL (FR) 2001-01-10 EP disclosed
WO-2000042979-A1 COMPOSITIONS FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC COUPLER, NOVEL CATIONIC COUPLERS, THEIR USE FOR OXIDATION DYEING AND DYEING METHODS L'OREAL (FR) 2000-07-27 WO disclosed