SCHEMBL9500071

SCHEMBL9500071

C=CC(Cc1ccccc1)n1cnc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.54
HSD17B10 Q99714 2/20 0.49
MEN1 O00255 1/20 0.49
HPGD P15428 1/20 0.49
KMT2A Q03164 1/20 0.49
CYP11B1 P15538 5/20 0.47
CYP11B2 P19099 5/20 0.47
TNF P01375 1/20 0.47
HTT P42858 3/20 0.45
AGER Q15109 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
ASAH1 Q13510 1/20 0.40
MAPK1 P28482 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 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
SCHEMBL8870347 0.81 HDAC8 (0.57) HDAC8HSD17B10MEN1HPGDKMT2A
SCHEMBL4087403 0.77 HDAC8 (0.59) HDAC8HSD17B10MEN1HPGDKMT2A
SCHEMBL12421828 0.75 HDAC8 (0.54) HDAC8HSD17B10MEN1HPGDKMT2A
SCHEMBL11011891 0.75 HTT (0.46) HDAC8HSD17B10MEN1HPGDKMT2A
SCHEMBL8912868 0.75 HSD17B10 (0.59) HDAC8HSD17B10MEN1HPGDKMT2A
SCHEMBL9740610 0.75 HDAC8 (0.56) HDAC8HSD17B10MEN1HPGDKMT2A
SCHEMBL9697193 0.74 HSD17B10 (0.50) HDAC8HSD17B10MEN1HPGDKMT2A
SCHEMBL4633987 0.74 MEN1 (0.50) HDAC8HSD17B10MEN1HPGDKMT2A
SCHEMBL5884242 0.74 HSD17B10 (0.50) HDAC8HSD17B10MEN1HPGDKMT2A
SCHEMBL9165313 0.74 MEN1 (0.58) HDAC8HSD17B10MEN1HPGDKMT2A

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
CN-105921116-B Cation with immixture pattern exchanges Solid Phase Extraction material and its preparation method and application 中国烟草总公司郑州烟草研究院 2018-10-09 CN disclosed
CN-105921116-A Cation exchange solid-phase extraction material with mixing effect mode and preparation method and application thereof 中国烟草总公司郑州烟草研究院 2016-09-07 CN disclosed
EP-0210132-B2 AQUEOUS, ALKALINE, SILICATE-CONTAINING COMPOSITION FOR THE BLEACHING OF CELLULOSIC FIBRES IN THE PRESENCE OF PERCOMPOUNDS CIBA-GEIGY AG (CH) 1993-04-07 EP disclosed
EP-0210132-B1 AQUEOUS, ALKALINE, SILICATE-CONTAINING COMPOSITION FOR THE BLEACHING OF CELLULOSIC FIBRES IN THE PRESENCE OF PERCOMPOUNDS CIBA-GEIGY AG (CH) 1989-12-27 EP disclosed
EP-0210952-B1 AQUEOUS, ALKALINE, SILICATE-CONTAINING COMPOSITION FOR THE BLEACHING OF CELLULOSIC FIBRES IN THE PRESENCE OF PERCOMPOUNDS CIBA-GEIGY AG (CH) 1989-08-23 EP disclosed
US-4751023-A Aqueous alkaline, silicate-containing composition for bleaching cellulosic fibre materials in the presence of per compounds CIBA-GEIGY CORPORATION (US) 1988-06-14 US disclosed
US-4725281-A Aqueous alkaline, silicate-containing composition and the use thereof for bleaching cellulosic fiber materials in the presence of per compounds CIBA-GEIGY CORPORATION (US) 1988-02-16 US disclosed
EP-0210952-A1 Aqueous, alkaline, silicate-containing composition for the bleaching of cellulosic fibres in the presence of percompounds CIBA-GEIGY AG (CH) 1987-02-04 EP disclosed
EP-0210132-A1 Aqueous, alkaline, silicate-containing composition for the bleaching of cellulosic fibres in the presence of percompounds CIBA-GEIGY AG (CH) 1987-01-28 EP disclosed
EP-0055975-A1 Stable, non aqueous textile auxiliary and its use in the oxidative desizing of cellulose containing fibrous materials CIBA-GEIGY AG (CH) 1982-07-14 EP disclosed