SCHEMBL2928995

SCHEMBL2928995

Cn1cc[n+](CC(=O)Nc2ccc(Cl)c(O)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ATM Q13315 1/20 0.42
CYP3A4 P08684 2/20 0.42
ALDH1A1 P00352 4/20 0.39
POLB P06746 3/20 0.39
MAPT P10636 3/20 0.39
UBE2N P61088 2/20 0.39
PKM P14618 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
BACE1 P56817 1/20 0.38
LMNA P02545 2/20 0.38
TSHR P16473 2/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 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 SCHEMBL6569970 0.99 MEN1 (0.46) MEN1KMT2AATMCYP3A4ALDH1A1
SCHEMBL2922194 0.86 ALDH1A1 (0.52) MEN1KMT2ACYP3A4ALDH1A1POLB
Hydrochloric Acid SCHEMBL5472880 0.85 ALDH1A1 (0.51) MEN1KMT2ACYP3A4ALDH1A1POLB
Hydrochloric Acid SCHEMBL7627815 0.85 KMT2A (0.44) MEN1KMT2AATMCYP3A4ALDH1A1
SCHEMBL2926211 0.83 ALDH1A1 (0.43) MEN1KMT2AALDH1A1POLBNPC1
Hydrochloric Acid SCHEMBL6570270 0.82 HSP90AA1 (0.44) MEN1KMT2AATMALDH1A1POLB
SCHEMBL2932487 0.75 POLB (0.38) KMT2AALDH1A1POLBMAPTUBE2N
Hydrochloric Acid SCHEMBL6571040 0.74 POLB (0.39) MEN1KMT2AALDH1A1POLBMAPT
SCHEMBL7076641 0.71 GSTO1 (0.57) CYP3A4ALDH1A1NPC1RAB9ALMNA
SCHEMBL22432811 0.70 MEN1 (0.47) MEN1KMT2AATMCYP3A4ALDH1A1

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