SCHEMBL5486056

SCHEMBL5486056

NCCCCC(=O)NCCS

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 7/20 0.53
HDAC4 P56524 7/20 0.53
HDAC1 Q13547 7/20 0.53
HDAC7 Q8WUI4 7/20 0.53
HDAC2 Q92769 7/20 0.53
HDAC10 Q969S8 7/20 0.53
HDAC11 Q96DB2 7/20 0.53
HDAC8 Q9BY41 7/20 0.53
HDAC6 Q9UBN7 7/20 0.53
HDAC9 Q9UKV0 7/20 0.53
HDAC5 Q9UQL6 7/20 0.53
SLC6A5 Q9Y345 2/20 0.50
CYP2D6 P10635 1/20 0.43
NFKB1 P19838 1/20 0.43
DNM1 Q05193 2/20 0.42
BLM P54132 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ESR1 P03372 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL5489409 0.98 HDAC3 (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5491618 0.98 HDAC3 (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7640385 0.94 HDAC3 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4989871 0.89 HDAC3 (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4343780 0.87 HDAC3 (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4347567 0.87 HDAC3 (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL15076046 0.86 SLC6A5 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL15452325 0.86 SLC6A5 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5505812 0.85 HDAC3 (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9506604 0.85 SLC6A5 (0.59) SLC6A5CYP2D6NFKB1DNM1BLM

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
US-20070015226-A1 Method for detecting cancer using metal-oxide or metal-sulfide nanoparticle fluorescent material FUJI PHOTO FILM CO., LTD. (JP) 2007-01-18 US disclosed
US-20060263908-A1 Fluorescent complex, a fluorescent particle and a fluorescence detection method FUJI PHOTO FILM CO., LTD. 2006-11-23 US disclosed