SCHEMBL6944450

SCHEMBL6944450

Nc1ccc(N(O)C(=O)C[n+]2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
RAB9A P51151 1/20 0.44
PABPC1 P11940 1/20 0.41
HSP90AA1 P07900 3/20 0.40
ACHE P22303 2/20 0.38
KDM4E B2RXH2 2/20 0.37
KMT2A Q03164 3/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPK1 P28482 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TDP1 Q9NUW8 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 SCHEMBL6941749 0.98 LMNA (0.47) LMNARAB9APABPC1HSP90AA1ACHE
SCHEMBL6944437 0.86 HSP90AA1 (0.47) RAB9APABPC1HSP90AA1ACHEKDM4E
SCHEMBL6945422 0.84 BACE1 (0.45) LMNARAB9APABPC1HSP90AA1KMT2A
Hydrochloric Acid SCHEMBL6940021 0.83 BACE1 (0.47) LMNARAB9APABPC1HSP90AA1ACHE
SCHEMBL6940502 0.81 PABPC1 (0.42) LMNARAB9APABPC1HSP90AA1ACHE
SCHEMBL6944670 0.80 RAB9A (0.38) LMNARAB9APABPC1HSP90AA1ACHE
SCHEMBL6939815 0.80 KMT2A (0.59) LMNAHSP90AA1KMT2AL3MBTL1ALDH1A1
Hydrochloric Acid SCHEMBL6945717 0.80 KMT2A (0.44) LMNARAB9APABPC1HSP90AA1ACHE
Hydrochloric Acid SCHEMBL6942876 0.79 KMT2A (0.61) LMNAHSP90AA1KMT2AL3MBTL1ALDH1A1
Hydrochloric Acid SCHEMBL6939400 0.79 LMNA (0.38) LMNARAB9APABPC1HSP90AA1ACHE

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