SCHEMBL1920753

SCHEMBL1920753

CC(C)(C)OC(=O)N1CCc2nc(C3(c4ccc(C(=O)NO)cc4)C=C3)sc2C1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRAMD1A Q96CP6 1/20 0.57
GCK P35557 15/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
MKNK1 Q9BUB5 1/20 0.39

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
SCHEMBL1920749 0.89 GRAMD1A (0.55) GRAMD1AGCKHDAC1HDAC6KDM4E
SCHEMBL1919616 0.86 GRAMD1A (0.55) GRAMD1AGCKHDAC1KDM4EMAPT
SCHEMBL2699931 0.79 GRAMD1A (0.51) GRAMD1AGCKKDM4EMAPT
SCHEMBL3354933 0.77 GRAMD1A (0.42) GRAMD1AGCKHDAC1HDAC6KDM4E
SCHEMBL198643 0.76 GRAMD1A (0.53) GRAMD1AGCKHDAC1KDM4EMAPT
SCHEMBL1919143 0.75 HDAC2 (0.44) GRAMD1AGCKHDAC1HDAC6KDM4E
SCHEMBL165650 0.73 GRAMD1A (0.53) GRAMD1AGCKKDM4EMAPTMKNK1
SCHEMBL29726004 0.73 GRAMD1A (1.00) GRAMD1AGCK
SCHEMBL172106 0.72 ADORA1 (0.56) GRAMD1AGCKKDM4EMAPTMKNK1
SCHEMBL1920008 0.71 HDAC1 (0.43) GRAMD1AHDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2011529504-A 2011-12-08 JP claimed
EP-2326622-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE HISTONE DEACETYLASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2011-06-01 EP claimed
WO-2010014611-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE HISTONE DEACETYLASE INHIBITOR COMPOUNDS GILEAD COLORADO, INC. (US) 2010-02-04 WO claimed