SCHEMBL8321908

SCHEMBL8321908

O=C(/C=C/c1ccc(Cc2nc3c(Br)cccc3[nH]2)cc1)NO

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 16/20 0.70
▸ HDAC8 Q9BY41 11/20 0.70
▸ HDAC6 Q9UBN7 11/20 0.70
▸ HDAC3 O15379 9/20 0.70
▸ HDAC2 Q92769 9/20 0.70
▸ HDAC4 P56524 8/20 0.70
▸ HDAC7 Q8WUI4 8/20 0.70
▸ HDAC10 Q969S8 8/20 0.70
▸ HDAC11 Q96DB2 8/20 0.70
▸ HDAC9 Q9UKV0 8/20 0.70
▸ HDAC5 Q9UQL6 8/20 0.70
▸ TET3 O43151 1/20 0.44
▸ BRD4 O60885 1/20 0.44
▸ FOXO1 Q12778 1/20 0.44
▸ TET2 Q6N021 1/20 0.44
▸ PIK3C3 Q8NEB9 1/20 0.44
▸ TET1 Q8NFU7 1/20 0.44
▸ NCOR2 Q9Y618 1/20 0.44

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
SCHEMBL8326657 0.90 HDAC1 (0.56) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL8319214 0.89 HDAC1 (0.70) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL4631676 0.82 HDAC1 (1.00) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL4631682 0.82 HDAC1 (1.00) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL28871238 0.78 GRIN1 (0.49) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL8325016 0.77 HDAC1 (0.73) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL29968491 0.77 GRIN1 (0.46) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL28871222 0.77 GRIN1 (0.46) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL8320552 0.75 HDAC1 (0.73) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL8325113 0.75 HDAC1 (0.70) HDAC1HDAC8HDAC6HDAC3HDAC2

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
WO-2004063169-A1 HYDROXAMID ACID DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ASTELLAS PHARMA INC. (JP) 2004-07-29 — — WO disclosed
Send feedback