SCHEMBL16199849

SCHEMBL16199849

O=NC(=O)CCCCCS

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 3/20 0.50
HDAC3 O15379 12/20 0.38
HDAC1 Q13547 12/20 0.38
HDAC10 Q969S8 12/20 0.38
HDAC11 Q96DB2 12/20 0.38
HDAC2 Q92769 11/20 0.38
HDAC8 Q9BY41 11/20 0.38
HDAC6 Q9UBN7 11/20 0.38
HDAC4 P56524 9/20 0.37
HDAC7 Q8WUI4 9/20 0.37
HDAC9 Q9UKV0 9/20 0.37
HDAC5 Q9UQL6 9/20 0.37
GSTK1 Q9Y2Q3 2/20 0.34
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
PMP22 Q01453 1/20 0.33

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
SCHEMBL15150563 1.00 FOLH1 (0.50) FOLH1HDAC3HDAC1HDAC10HDAC11
SCHEMBL21467449 0.87 TSHR (0.42) HDAC3HDAC1HDAC11HDAC2HDAC8
SCHEMBL18386700 0.87 TSHR (0.42) HDAC3HDAC1HDAC11HDAC2HDAC8
SCHEMBL10160296 0.84 LMNA (0.39) FOLH1HDAC3HDAC1HDAC2HDAC8
SCHEMBL16070362 0.78
SCHEMBL18862808 0.78 SLC22A6 (0.39) LMNATSHRNFKB1PMP22
SCHEMBL16256393 0.77 TSHR (0.63) HDAC11LMNATSHRNFKB1PMP22
SCHEMBL17676783 0.77 TSHR (0.63) HDAC11LMNATSHRNFKB1PMP22
SCHEMBL16449377 0.77 TSHR (0.63) HDAC11LMNATSHRNFKB1PMP22
SCHEMBL17115809 0.77 GPR84 (0.52) HDAC3HDAC1HDAC2HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2796552-A2 Methods and apparatus for synthesizing nucleic acids Molecular Assembly, LLC (US) 2014-10-29 EP disclosed