SCHEMBL6944642

SCHEMBL6944642

CC(=O)Nc1cccc(NC(=O)C[n+]2ccccc2)c1O

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.57
L3MBTL1 Q9Y468 4/20 0.57
MAPK1 P28482 3/20 0.57
ALDH1A1 P00352 3/20 0.57
POLB P06746 2/20 0.57
HSP90AA1 P07900 4/20 0.49
BACE1 P56817 1/20 0.45
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
RAB9A P51151 1/20 0.43
KDM4E B2RXH2 1/20 0.42
RECQL P46063 1/20 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 SCHEMBL6940793 0.99 KMT2A (0.59) KMT2AL3MBTL1MAPK1ALDH1A1POLB
SCHEMBL6940204 0.92 KMT2A (0.65) KMT2AL3MBTL1MAPK1ALDH1A1POLB
Hydrochloric Acid SCHEMBL6943270 0.91 KMT2A (0.68) KMT2AL3MBTL1MAPK1ALDH1A1POLB
SCHEMBL7024970 0.88 KMT2A (0.49) KMT2AL3MBTL1MAPK1ALDH1A1POLB
SCHEMBL7022333 0.88 KMT2A (0.49) KMT2AL3MBTL1MAPK1ALDH1A1POLB
SCHEMBL7020202 0.87 POLB (0.48) KMT2AL3MBTL1MAPK1ALDH1A1POLB
Hydrochloric Acid SCHEMBL7026394 0.87 KMT2A (0.51) KMT2AL3MBTL1MAPK1ALDH1A1POLB
Hydrochloric Acid SCHEMBL7028355 0.87 KMT2A (0.51) KMT2AL3MBTL1MAPK1ALDH1A1POLB
SCHEMBL7022568 0.87 POLB (0.48) KMT2AL3MBTL1MAPK1ALDH1A1POLB
Hydrochloric Acid SCHEMBL7024328 0.86 KMT2A (0.50) KMT2AL3MBTL1MAPK1ALDH1A1POLB

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