SCHEMBL7022162

SCHEMBL7022162

O=C(C[n+]1ccccc1)Nc1ccc2cccc(NC(=O)C[n+]3ccccc3)c2c1O

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.53
L3MBTL1 Q9Y468 4/20 0.53
ALDH1A1 P00352 3/20 0.53
MAPK1 P28482 2/20 0.53
POLB P06746 3/20 0.50
ACHE P22303 3/20 0.42
BCHE P06276 1/20 0.42
HSP90AA1 P07900 3/20 0.42
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
RAB9A P51151 1/20 0.41
BACE1 P56817 1/20 0.40
KDM4E B2RXH2 1/20 0.40
RECQL P46063 1/20 0.40

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 SCHEMBL7024941 0.99 KMT2A (0.56) KMT2AL3MBTL1ALDH1A1MAPK1POLB
SCHEMBL7020202 0.94 POLB (0.48) KMT2AL3MBTL1ALDH1A1MAPK1POLB
SCHEMBL7022568 0.94 POLB (0.48) KMT2AL3MBTL1ALDH1A1MAPK1POLB
Hydrochloric Acid SCHEMBL7024328 0.93 KMT2A (0.50) KMT2AL3MBTL1ALDH1A1MAPK1POLB
Hydrochloric Acid SCHEMBL7014927 0.93 KMT2A (0.50) KMT2AL3MBTL1ALDH1A1MAPK1POLB
SCHEMBL7020227 0.92 POLB (0.52) KMT2AL3MBTL1ALDH1A1MAPK1POLB
SCHEMBL7025276 0.92 POLB (0.52) KMT2AL3MBTL1ALDH1A1MAPK1POLB
Hydrochloric Acid SCHEMBL7018776 0.91 POLB (0.54) KMT2AL3MBTL1ALDH1A1MAPK1POLB
Hydrochloric Acid SCHEMBL7023925 0.91 POLB (0.54) KMT2AL3MBTL1ALDH1A1MAPK1POLB
SCHEMBL7023591 0.90 KMT2A (0.48) KMT2AL3MBTL1ALDH1A1MAPK1POLB

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-1066246-B1 NOVEL CATIONIC COUPLERS AND THEIR USE FOR OXIDATION DYEING OREAL (FR) 2003-11-05 EP claimed
EP-1066246-A1 NOVEL CATIONIC COUPLERS AND THEIR USE FOR OXIDATION DYEING L'OREAL (FR) 2001-01-10 EP claimed
WO-2000043356-A1 NOVEL CATIONIC COUPLERS AND THEIR USE FOR OXIDATION DYEING L'OREAL (FR) 2000-07-27 WO claimed
EP-1066246-B1 NOVEL CATIONIC COUPLERS AND THEIR USE FOR OXIDATION DYEING OREAL (FR) 2003-11-05 EP disclosed
EP-1066246-A1 NOVEL CATIONIC COUPLERS AND THEIR USE FOR OXIDATION DYEING L'OREAL (FR) 2001-01-10 EP disclosed
WO-2000043356-A1 NOVEL CATIONIC COUPLERS AND THEIR USE FOR OXIDATION DYEING L'OREAL (FR) 2000-07-27 WO disclosed