Sugi Predict

Sugi Predict / Compounds / SCHEMBL15513503

SCHEMBL15513503

SCHEMBL15513503

CC(=O)CCCCC[C@H](NC(=O)c1cccc(C#N)c1)c1ncc(-c2ccccc2)[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 20/20 1.00
▸ HDAC3 O15379 1/20 0.52
▸ HDAC4 P56524 1/20 0.52
▸ HDAC2 Q92769 1/20 0.52
▸ HDAC6 Q9UBN7 1/20 0.52

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
Trifluoroacetic Acid SCHEMBL2072607 0.95 HDAC1 (0.91) HDAC1HDAC3HDAC4HDAC2HDAC6
SCHEMBL15513401 0.91 HDAC1 (0.82) HDAC1HDAC3HDAC4HDAC2HDAC6
Trifluoroacetic Acid SCHEMBL2072944 0.86 HDAC1 (0.75) HDAC1HDAC3HDAC4HDAC2HDAC6
SCHEMBL15512664 0.85 HDAC1 (0.75) HDAC1HDAC3HDAC4HDAC2HDAC6
SCHEMBL15512910 0.84 HDAC1 (0.73) HDAC1HDAC3HDAC4HDAC2HDAC6
SCHEMBL15513080 0.83 HDAC1 (0.73) HDAC1HDAC3HDAC4HDAC2HDAC6
SCHEMBL15513079 0.83 HDAC1 (0.73) HDAC1HDAC3HDAC4HDAC2HDAC6
SCHEMBL4416660 0.81 HDAC1 (0.72) HDAC1HDAC3HDAC4HDAC2HDAC6
Trifluoroacetic Acid SCHEMBL2073494 0.81 HDAC1 (0.69) HDAC1HDAC3HDAC4HDAC2HDAC6
SCHEMBL15512879 0.81 HDAC1 (0.69) HDAC1HDAC3HDAC4HDAC2HDAC6

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-1828171-B1 HETEROCYCLE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ANGELETTI P IST RICHERCHE BIO (IT) 2014-03-12 — — EP claimed