SCHEMBL7024970

SCHEMBL7024970

CC(=O)Nc1ccc2c(NC(=O)C[n+]3ccccc3)cccc2c1O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.49
ALDH1A1 P00352 4/20 0.49
MAPK1 P28482 2/20 0.49
POLB P06746 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
HSP90AA1 P07900 3/20 0.43
RXFP1 Q9HBX9 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
BACE1 P56817 1/20 0.40
MEN1 O00255 1/20 0.39

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
SCHEMBL7022333 1.00 KMT2A (0.49) KMT2AALDH1A1MAPK1POLBL3MBTL1
Hydrochloric Acid SCHEMBL7028355 0.99 KMT2A (0.51) KMT2AALDH1A1MAPK1POLBL3MBTL1
Hydrochloric Acid SCHEMBL7026394 0.99 KMT2A (0.51) KMT2AALDH1A1MAPK1POLBL3MBTL1
SCHEMBL7022552 0.94 KMT2A (0.55) KMT2AALDH1A1MAPK1POLBL3MBTL1
Hydrochloric Acid SCHEMBL7028394 0.92 KMT2A (0.57) KMT2AALDH1A1MAPK1POLBL3MBTL1
SCHEMBL6944642 0.88 KMT2A (0.57) KMT2AALDH1A1MAPK1POLBL3MBTL1
SCHEMBL7022725 0.88 POLB (0.53) KMT2AALDH1A1MAPK1POLBL3MBTL1
SCHEMBL7017581 0.88 POLB (0.53) KMT2AALDH1A1MAPK1POLBL3MBTL1
Hydrochloric Acid SCHEMBL6940793 0.87 KMT2A (0.59) KMT2AALDH1A1MAPK1POLBL3MBTL1
Hydrochloric Acid SCHEMBL7018300 0.87 POLB (0.55) KMT2AALDH1A1MAPK1POLBL3MBTL1

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