SCHEMBL6428828

SCHEMBL6428828

CCOC(=S)SCCC(NC(C)=O)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
CYP2D6 P10635 1/20 0.41
HDAC3 O15379 2/20 0.38
HDAC4 P56524 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC7 Q8WUI4 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC10 Q969S8 2/20 0.38
HDAC11 Q96DB2 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC9 Q9UKV0 2/20 0.38
HDAC5 Q9UQL6 2/20 0.38
MAPT P10636 4/20 0.32
PKM P14618 2/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL3452906 0.80 ALDH1A1 (0.39) ALDH1A1CYP2D6HDAC3HDAC4HDAC1
SCHEMBL6428826 0.77 ALDH1A1 (0.33) ALDH1A1CYP2D6HDAC3HDAC4HDAC1
SCHEMBL6295105 0.76 ALDH1A1 (0.33) ALDH1A1CYP2D6HDAC3HDAC4HDAC1
SCHEMBL3453558 0.76 ALDH1A1 (0.31) ALDH1A1CYP2D6HDAC3HDAC4HDAC1
SCHEMBL3452637 0.75 ALDH1A1 (0.35) ALDH1A1CYP2D6CTRB1PLA2G2C
SCHEMBL3451943 0.74 ALDH1A1 (0.31) ALDH1A1CYP2D6HDAC3HDAC4HDAC1
SCHEMBL3452638 0.74 ALDH1A1 (0.32) ALDH1A1CYP2D6HDAC3HDAC4HDAC1
SCHEMBL3451940 0.74 ALDH1A1 (0.37) ALDH1A1CYP2D6HDAC3HDAC4HDAC1
SCHEMBL3452307 0.74 ALDH1A1 (0.32) ALDH1A1CYP2D6HDAC3HDAC4HDAC1
SCHEMBL3453123 0.73 ALDH1A1 (0.31) ALDH1A1CYP2D6HDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1539688-B1 NOVEL COMPOUNDS COMPRISING A THIOCARBONYL-SULFANYL GROUP, WHICH CAN BE USED FOR THE RADICAL SYNTHESIS OF ALPHA-PERFLUOROALKYLAMINES CENTRE NAT RECH SCIENT (FR) 2016-08-10 EP disclosed
EP-1539688-A2 NOVEL COMPOUNDS COMPRISING A THIOCARBONYL-SULFANYL GROUP, WHICH CAN BE USED FOR THE RADICAL SYNTHESIS OF ALPHA-PERFLUOROALKYLAMINES Rhodia Chimie (FR) 2005-06-15 EP disclosed
WO-2004024681-A2 NOVEL COMPOUNDS COMPRISING A THIOCARBONYL-SULFANYL GROUP, WHICH CAN BE USED FOR THE RADICAL SYNTHESIS OF ALPHA-PERFLUOROALKYLAMINES RHODIA CHIMIE (FR) 2004-03-25 WO disclosed