SCHEMBL13859920

SCHEMBL13859920

CC(/C=C/C(=O)NO)=C\[C@H](C)C(=O)c1ccc(N)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 14/20 0.72
▸ HDAC4 P56524 10/20 0.72
▸ HDAC8 Q9BY41 10/20 0.72
▸ HDAC3 O15379 9/20 0.72
▸ HDAC7 Q8WUI4 9/20 0.72
▸ HDAC2 Q92769 9/20 0.72
▸ HDAC10 Q969S8 9/20 0.72
▸ HDAC6 Q9UBN7 9/20 0.72
▸ HDAC9 Q9UKV0 9/20 0.72
▸ HDAC5 Q9UQL6 9/20 0.72
▸ HDAC11 Q96DB2 8/20 0.72
▸ TOP2A P11388 1/20 0.41
▸ CYP1B1 Q16678 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ HTT P42858 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
SCHEMBL1520815 1.00 HDAC1 (0.72) HDAC1HDAC4HDAC8HDAC3HDAC7
SCHEMBL1520819 1.00 HDAC1 (0.72) HDAC1HDAC4HDAC8HDAC3HDAC7
SCHEMBL12395351 0.86 HDAC1 (0.71) HDAC1HDAC4HDAC8HDAC3HDAC7
SCHEMBL13465162 0.85 HDAC1 (0.70) HDAC1HDAC4HDAC8HDAC3HDAC7
SCHEMBL1521160 0.85 HDAC1 (0.70) HDAC1HDAC4HDAC8HDAC3HDAC7
SCHEMBL1521164 0.85 HDAC1 (0.70) HDAC1HDAC4HDAC8HDAC3HDAC7
Trichostatin SCHEMBL16380793 0.84 HDAC1 (1.00) HDAC1HDAC4HDAC8HDAC3HDAC7
SCHEMBL1521161 0.84 HDAC1 (0.69) HDAC1HDAC4HDAC8HDAC3HDAC7
Trichostatin SCHEMBL675951 0.84 HDAC1 (1.00) HDAC1HDAC4HDAC8HDAC3HDAC7
Trichostatin SCHEMBL446806 0.84 HDAC1 (1.00) HDAC1HDAC4HDAC8HDAC3HDAC7

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
US-20090130064-A1 DIFFERENTIATION OF STEM CELLS AND STABILIZATION OF PHENOTYPICAL PROPERTIES OF PRIMARY CELLS VRIJE UNIVERSITEIT BRUSSEL (BE) 2009-05-21 — — US disclosed
Send feedback