SCHEMBL2926211

SCHEMBL2926211

COc1ccc(NC(=O)C[n+]2ccn(C)c2)cc1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.43
HSP90AA1 P07900 1/20 0.43
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
BCHE P06276 2/20 0.40
ACHE P22303 2/20 0.40
NAMPT P43490 1/20 0.40
BACE1 P56817 1/20 0.40
TRPV1 Q8NER1 1/20 0.39
POLB P06746 1/20 0.39
ENPP1 P22413 1/20 0.39
KDM4C Q9H3R0 1/20 0.38

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 SCHEMBL6570270 0.99 HSP90AA1 (0.44) ALDH1A1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL2922194 0.84 ALDH1A1 (0.52) ALDH1A1MEN1KMT2ANPC1LMNA
SCHEMBL2928995 0.83 MEN1 (0.44) ALDH1A1SMN1; SMN2MEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL5472880 0.83 ALDH1A1 (0.51) ALDH1A1MEN1KMT2ALMNAGAA
Hydrochloric Acid SCHEMBL6569970 0.82 MEN1 (0.46) ALDH1A1SMN1; SMN2MEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL7623847 0.79 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL2932487 0.73 POLB (0.38) ALDH1A1KMT2ANPC1LMNAGAA
SCHEMBL30675626 0.73 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL20679586 0.73 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL1634709 0.73 GAA (0.54) ALDH1A1SMN1; SMN2MEN1KMT2ANPC1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1064267-B1 NOVEL CATIONIC COUPLING AGENTS, THEIR USE FOR OXIDATION DYEING OF KERATINOUS FIBRES, DYEING COMPOSITIONS AND DYEING METHODS OREAL (FR) 2004-09-29 EP claimed
EP-1064267-A1 NOVEL CATIONIC COUPLING AGENTS, THEIR USE FOR OXIDATION DYEING OF KERATINOUS FIBRES, DYEING COMPOSITIONS AND DYEING METHODS L'OREAL (FR) 2001-01-03 EP claimed
WO-1999048874-A1 NOVEL CATIONIC COUPLING AGENTS, THEIR USE FOR OXIDATION DYEING OF KERATINOUS FIBRES, DYEING COMPOSITIONS AND DYEING METHODS L'OREAL (FR) 1999-09-30 WO claimed
EP-1728500-B1 Composition for dyeing keratinic fibres comprising a diamino-N,N-dihydro-pyrazolon derivative and a cationic oxidation dye OREAL (FR) 2010-01-27 EP disclosed
EP-1056435-B9 DYEING METHOD USING AN HETEROCYCLIC CATIONIC AMINE AND A ALDEHYDE OR KETONE OR QUINONE OR DI-IMINO-ISOINDOLINE OR 3-AMINO-ISOINDOLONE DERIVATIVES OREAL (FR) 2007-01-10 EP disclosed
EP-1728500-A1 Composition for dyeing keratinic fibres comprising a diamino-N,N-dihydro-pyrazolon derivative and a cationic oxidation dye L'OREAL (FR) 2006-12-06 EP disclosed
EP-1056435-B1 DYEING METHOD USING AN HETEROCYCLIC CATIONIC AMINE AND A ALDEHYDE OR KETONE OR QUINONE OR DI-IMINO-ISOINDOLINE OR 3-AMINO-ISOINDOLONE DERIVATIVES OREAL (FR) 2006-06-28 EP disclosed
EP-1064267-B1 NOVEL CATIONIC COUPLING AGENTS, THEIR USE FOR OXIDATION DYEING OF KERATINOUS FIBRES, DYEING COMPOSITIONS AND DYEING METHODS OREAL (FR) 2004-09-29 EP disclosed
EP-1064267-A1 NOVEL CATIONIC COUPLING AGENTS, THEIR USE FOR OXIDATION DYEING OF KERATINOUS FIBRES, DYEING COMPOSITIONS AND DYEING METHODS L'OREAL (FR) 2001-01-03 EP disclosed
WO-1999048874-A1 NOVEL CATIONIC COUPLING AGENTS, THEIR USE FOR OXIDATION DYEING OF KERATINOUS FIBRES, DYEING COMPOSITIONS AND DYEING METHODS L'OREAL (FR) 1999-09-30 WO disclosed