SCHEMBL6946221

SCHEMBL6946221

Nc1cccc(O)c1NC(=O)C[n+]1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
POLB P06746 3/20 0.51
ALDH1A1 P00352 2/20 0.51
MAPK1 P28482 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
MEN1 O00255 1/20 0.51
MAPT P10636 1/20 0.51
RAB9A P51151 1/20 0.51
LMNA P02545 2/20 0.49
HSP90AA1 P07900 5/20 0.48
BACE1 P56817 2/20 0.43
ACHE P22303 2/20 0.42

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 SCHEMBL6944402 0.98 KMT2A (0.54) KMT2APOLBALDH1A1MAPK1L3MBTL1
SCHEMBL6944662 0.81 KMT2A (0.54) KMT2APOLBALDH1A1MAPK1L3MBTL1
SCHEMBL6941687 0.80 KMT2A (0.50) KMT2APOLBALDH1A1MAPK1L3MBTL1
Hydrochloric Acid SCHEMBL6939393 0.79 KMT2A (0.56) KMT2APOLBALDH1A1MAPK1L3MBTL1
Hydrochloric Acid SCHEMBL6942957 0.79 KMT2A (0.52) KMT2APOLBALDH1A1MAPK1L3MBTL1
SCHEMBL6573847 0.79 MEN1 (0.42) KMT2APOLBALDH1A1MAPK1L3MBTL1
Hydrochloric Acid SCHEMBL6574924 0.78 KMT2A (0.41) KMT2APOLBALDH1A1MAPK1L3MBTL1
SCHEMBL7254610 0.77 TSHR (0.43) KMT2AMAPK1MEN1RAB9ALMNA
SCHEMBL6944428 0.76 KMT2A (0.68) KMT2APOLBALDH1A1MAPK1L3MBTL1
SCHEMBL6939370 0.75 KMT2A (0.48) KMT2APOLBALDH1A1MAPK1L3MBTL1

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