SCHEMBL1497919

SCHEMBL1497919

Cc1ccc(NCCO)c(N)c1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.58
PRSS1 P07477 10/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 3/20 0.44
HSD17B10 Q99714 3/20 0.44
KDM4E B2RXH2 2/20 0.44
ALOX15 P16050 2/20 0.44
TDP1 Q9NUW8 2/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
THRB P10828 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PTGER4 P35408 2/20 0.42
SLC6A4 P31645 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
SCHEMBL6248663 0.89 HDAC6 (0.63) HDAC6PRSS1ALDH1A1HSD17B10KDM4E
SCHEMBL30516497 0.89 HDAC6 (0.63) HDAC6PRSS1ALDH1A1HSD17B10KDM4E
SCHEMBL6253238 0.88 HDAC6 (0.61) HDAC6PRSS1ALDH1A1HSD17B10KDM4E
Hydrochloric Acid SCHEMBL4862759 0.88 HDAC6 (0.61) HDAC6PRSS1ALDH1A1HSD17B10KDM4E
Hydrochloric Acid SCHEMBL4864775 0.86 HDAC6 (0.60) HDAC6PRSS1ALDH1A1HSD17B10KDM4E
SCHEMBL124591 0.85 HDAC6 (0.71) HDAC6PRSS1ALDH1A1HSD17B10KDM4E
SCHEMBL3637289 0.83 HDAC6 (0.59) HDAC6PRSS1ALDH1A1HSD17B10KDM4E
SCHEMBL3875798 0.81 KMT2A (0.60) HDAC6MEN1KMT2AALDH1A1HSD17B10
SCHEMBL2927441 0.81 PRSS1 (0.49) HDAC6PRSS1KMT2AALDH1A1HSD17B10
SCHEMBL7137884 0.80 HDAC6 (0.65) HDAC6PRSS1ALOX15TDP1TP53

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 106 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114656486-B Purinone compound, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2023-09-19 CN disclosed
EP-4204100-A1 HAIR LIGHTENING COMPOSITIONS PROVIDING DAMAGE PROTECTION AND SENSORIAL BENEFITS AND METHODS OF USE L'OREAL (FR) 2023-07-05 EP disclosed
CN-114656486-A Purine ketone compound, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2022-06-24 CN disclosed
WO-2021138257-A1 COMPOSITIONS FOR IMPARTING COLOR AND TONE TO THE HAIR SHI MINLI (US) 2021-07-08 WO disclosed
EP-3731801-A1 COMPOSITIONS FOR ALTERING THE COLOR OF HAIR L'OREAL (FR) 2020-11-04 EP disclosed
EP-3694485-A1 SPECIFIC 7-AMINO-1,2,3,4-TETRAHYDROQUINOLINES, METHOD, AND COMPOSITION L'OREAL (FR) 2020-08-19 EP disclosed
EP-3687978-A1 PARA-PHENYLENEDIAMINE BASES WITH CATIONIC HETEROCYCLES, AND THE USE OF SAME FOR OXIDATION DYEING KERATIN FIBRES L'Oreal (FR) 2020-08-05 EP disclosed
EP-3687970-A1 PARA-PHENYLENEDIAMINE BASES WITH AN ALIPHATIC CHAINE AND TRIALKYL AMMONIUM GROUP, AND THE USE OF SAME FOR OXIDATION DYEING KERATIN FIBRES L'Oreal (FR) 2020-08-05 EP disclosed
EP-3558464-A1 ANHYDROUS SOLID COMPOSITION FOR DYEING KERATIN FIBRES COMPRISING A METABISULFITE L'Oreal (FR) 2019-10-30 EP disclosed
WO-2019191019-A1 METHODS AND COMPOSITIONS FOR IMPROVING THE DURABILITY OF COLOR IN ARTIFICIALLY COLORED HAIR L'OREAL (FR) 2019-10-03 WO disclosed
WO-2012059406-A1 COLOURING MOUSSE COMPOSITION COMPRISING A POLYETHYLENE GLYCOL L'OREAL (FR) 2012-05-10 WO disclosed
WO-2012059410-A1 DYE COMPOSITION HAVING A LOW CONTENT OF AMMONIA L'OREAL (FR) 2012-05-10 WO disclosed
WO-2011131676-A2 DYEING OR LIGHTENING PROCESS AND INVERSE EMULSION FOR TREATING THE HAIR COMPRISING A PARTICULAR SOLVENT L'OREAL (FR) 2011-10-27 WO disclosed
WO-2011107501-A1 CATIONIC 6-AMINOINDOLINES, DYEING COMPOSITIONS CONTAINING THEM, PROCESSES AND USES THEREOF L'OREAL (FR) 2011-09-09 WO disclosed
WO-2011076646-A2 AGENT FOR DYEING AND/OR BLEACHING KERATIN FIBRES, COMPRISING AN INVERSE EMULSION COMPRISING AN OXIDIZING AGENT L'OREAL (FR) 2011-06-30 WO disclosed
WO-2011069898-A1 NOVEL CATIONIC AMINOPYRIDINES, DYE COMPOSITION COMPRISING A CATIONIC AMINOPYRIDINE, PROCESSES THEREFOR AND USES THEREOF L'OREAL (FR) 2011-06-16 WO disclosed
WO-2011069952-A1 NOVEL CATIONIC 4-AMINOINDOLES, DYE COMPOSITION COMPRISING A CATIONIC 4-AMINOINDOLE, PROCESSES THEREFOR AND USES THEREOF L'OREAL (FR) 2011-06-16 WO disclosed
WO-2011027077-A2 COMPOSITION COMPRISING A HYDROPHOBIC DYE, A SPECIFIC MINERAL AND/OR ORGANIC ALKALINE AGENT, A SPECIFIC COMPOUND (I) AND A SPECIFIC ORGANIC COMPOUND (II), AND USE THEREOF IN DYEING L'OREAL (FR) 2011-03-10 WO disclosed
WO-2011027076-A2 DYEING METHOD CONSISTING IN APPLYING A METALLIC SALT AND A COMPOSITION CONTAINING A HYDROPHOBIC DYE AND A SPECIFIC COMPOUND L'OREAL (FR) 2011-03-10 WO disclosed
US-20040122782-A1 Process for determining the composition of a dye product L'OREAL (FR) 2004-06-24 US disclosed