Sugi Predict

Sugi Predict / Compounds / SCHEMBL1918795

SCHEMBL1918795

SCHEMBL1918795

CC(O)Cc1cc(CC(C)O)nc(C2(c3ccc(C(=O)Nc4cc(-c5ccc(F)cc5)ccc4N)cc3)CCOCC2)c1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HDAC2 Q92769 12/20 0.44
▸ HDAC1 Q13547 15/20 0.44
▸ HDAC3 O15379 8/20 0.42
▸ KCNH2 Q12809 2/20 0.42

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
SCHEMBL197156 0.79 HDAC2 (0.56) HDAC2HDAC1HDAC3KCNH2
SCHEMBL198314 0.78 HDAC2 (0.47) HDAC2HDAC1HDAC3KCNH2
SCHEMBL197569 0.77 HDAC2 (0.45) HDAC2HDAC1HDAC3KCNH2
SCHEMBL197027 0.76 HDAC2 (0.45) HDAC2HDAC1HDAC3KCNH2
SCHEMBL197987 0.76 HDAC2 (0.48) HDAC2HDAC1HDAC3KCNH2
SCHEMBL197350 0.76 HDAC2 (0.50) HDAC2HDAC1HDAC3KCNH2
SCHEMBL9910040 0.76 HDAC2 (0.48) HDAC2HDAC1HDAC3KCNH2
SCHEMBL197106 0.75 HDAC2 (0.50) HDAC2HDAC1HDAC3KCNH2
SCHEMBL1920522 0.75 HDAC2 (0.44) HDAC2HDAC1HDAC3KCNH2
SCHEMBL198601 0.74 HDAC2 (0.46) HDAC2HDAC1HDAC3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2326622-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE HISTONE DEACETYLASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2011-06-01 — — EP disclosed
WO-2010014611-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE HISTONE DEACETYLASE INHIBITOR COMPOUNDS GILEAD COLORADO, INC. (US) 2010-02-04 — — WO disclosed