SCHEMBL9852005

SCHEMBL9852005

Cc1ccccc1NCCCS(=O)(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.58
HTT P42858 2/20 0.58
HDAC1 Q13547 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 2/20 0.41
HPGD P15428 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40

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
SCHEMBL10795158 0.90 MAPT (0.62) MAPTHTTHDAC1NPC1RAB9A
SCHEMBL29116593 0.87 KEAP1 (0.51) MAPTHTTHDAC1ALDH1A1KMT2A
SCHEMBL28283118 0.83 MAPT (0.39) MAPTHTTHDAC1ALDH1A1GAA
SCHEMBL1497306 0.82 POLB (0.44) MAPTHTTHDAC1ALDH1A1KMT2A
SCHEMBL10889796 0.81 ALDH1A1 (0.41) MAPTHDAC1ALDH1A1KMT2AMEN1
SCHEMBL30844093 0.81 MAPT (0.42) MAPTHTTNPC1ALDH1A1KMT2A
SCHEMBL917776 0.81 MAPT (0.42) MAPTHTTNPC1ALDH1A1KMT2A
SCHEMBL5314740 0.81 KIF11 (0.38) MAPTHTTALDH1A1HPGDPOLB
SCHEMBL21027144 0.80 ALDH1A1 (0.38) MAPTHTTALDH1A1KMT2AMEN1
SCHEMBL12226555 0.80 KMT2A (0.44) MAPTHTTALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1603820-A Instrument for separating biological sample and separation method therefor RIKIA CO LTD (JP) 2005-04-06 CN disclosed
EP-0418169-A2 Method for determination of ion concentration, specific gravity, or osmotic pressure of a solution and apparatus therefor TERUMO KABUSHIKI KAISHA (JP) 1991-03-20 EP disclosed