SCHEMBL1708503

SCHEMBL1708503

O=C(/C=C/c1cnc(N[C@@H]2CCN(CCc3ccc(F)c(F)c3)C2)cn1)NO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.39
HDAC8 Q9BY41 5/20 0.39
HDAC6 Q9UBN7 5/20 0.39
HDAC3 O15379 3/20 0.39
HDAC4 P56524 3/20 0.39
HDAC7 Q8WUI4 3/20 0.39
HDAC2 Q92769 3/20 0.39
HDAC10 Q969S8 3/20 0.39
HDAC11 Q96DB2 3/20 0.39
HDAC9 Q9UKV0 3/20 0.39
HDAC5 Q9UQL6 3/20 0.39
CCR3 P51677 2/20 0.38
DRD2 P14416 2/20 0.37
DRD3 P35462 1/20 0.37
SIGMAR1 Q99720 2/20 0.37
KCNH2 Q12809 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAOA P21397 1/20 0.35
ACHE P22303 1/20 0.35
MAOB P27338 1/20 0.35

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
SCHEMBL1708505 1.00 HDAC1 (0.39) HDAC1HDAC8HDAC6HDAC3HDAC4
Hydrochloric Acid SCHEMBL1707417 0.99 HDAC1 (0.38) HDAC1HDAC8HDAC6HDAC3HDAC4
Hydrochloric Acid SCHEMBL1706853 0.99 HDAC1 (0.38) HDAC1HDAC8HDAC6HDAC3HDAC4
Hydrochloric Acid SCHEMBL1706849 0.99 HDAC1 (0.38) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL1707635 0.95 ROCK2 (0.41) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL1707637 0.95 ROCK2 (0.41) HDAC1HDAC8HDAC6HDAC3HDAC4
Hydrochloric Acid SCHEMBL1707327 0.94 ROCK2 (0.40) HDAC1HDAC8HDAC6HDAC3HDAC4
Hydrochloric Acid SCHEMBL1707276 0.94 ROCK2 (0.40) HDAC1HDAC8HDAC6HDAC3HDAC4
Hydrochloric Acid SCHEMBL1707329 0.94 ROCK2 (0.40) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL1707074 0.91 SIGMAR1 (0.40) CCR3DRD2DRD3SIGMAR1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1981877-B1 N-HYDROXYACRYLAMIDE COMPOUNDS ASTELLAS PHARMA INC (JP) 2012-04-18 EP claimed
EP-1981877-B1 N-HYDROXYACRYLAMIDE COMPOUNDS ASTELLAS PHARMA INC (JP) 2012-04-18 EP disclosed
EP-1981877-A1 N-HYDROXYACRYLAMIDE COMPOUNDS Astellas Pharma Inc. (JP) 2008-10-22 EP disclosed
WO-2007091703-A1 N-HYDROXYACRYLAMIDE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2007-08-16 WO disclosed