SCHEMBL2558754

SCHEMBL2558754

COc1ccc(-c2nc(N3CCOCC3)c3sc(CCN(C)c4ncc(C(=O)NO)cn4)cc3n2)cn1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 19/20 0.86
HDAC2 Q92769 6/20 0.86
HDAC10 Q969S8 6/20 0.86
HDAC11 Q96DB2 6/20 0.86
HDAC6 Q9UBN7 5/20 0.86
PIK3CA P42336 5/20 0.86
HDAC3 O15379 5/20 0.86
HDAC4 P56524 4/20 0.86
HDAC7 Q8WUI4 4/20 0.86
HDAC8 Q9BY41 4/20 0.86
HDAC9 Q9UKV0 4/20 0.86
HDAC5 Q9UQL6 4/20 0.86
NCOR2 Q9Y618 4/20 0.86
PIK3CD O00329 3/20 0.86
PIK3R1 P27986 3/20 0.86
PIK3CB P42338 2/20 0.86
PIK3CG P48736 2/20 0.86
MTOR P42345 2/20 0.86
PRKDC P78527 1/20 0.86
KCNH2 Q12809 1/20 0.86

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
Fimepinostat SCHEMBL29493089 0.93 HDAC1 (1.00) HDAC1HDAC2HDAC10HDAC11HDAC6
Fimepinostat SCHEMBL1284705 0.93 HDAC1 (1.00) HDAC1HDAC2HDAC10HDAC11HDAC6
Fimepinostat SCHEMBL29353052 0.93 HDAC1 (1.00) HDAC1HDAC2HDAC10HDAC11HDAC6
Fimepinostat SCHEMBL12813120 0.92 HDAC1 (0.99) HDAC1HDAC2HDAC10HDAC11HDAC6
Fimepinostat SCHEMBL12813122 0.92 HDAC1 (0.99) HDAC1HDAC2HDAC10HDAC11HDAC6
Fimepinostat SCHEMBL12813054 0.92 HDAC1 (0.99) HDAC1HDAC2HDAC10HDAC11HDAC6
Fimepinostat SCHEMBL29666301 0.92 HDAC1 (0.99) HDAC1HDAC2HDAC10HDAC11HDAC6
Fimepinostat SCHEMBL12813051 0.92 HDAC1 (0.99) HDAC1HDAC2HDAC10HDAC11HDAC6
Fimepinostat SCHEMBL29666166 0.92 HDAC1 (0.99) HDAC1HDAC2HDAC10HDAC11HDAC6
SCHEMBL2559157 0.91 HDAC1 (0.71) HDAC1HDAC2HDAC10HDAC11HDAC6

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-2557923-A1 TREATMENT OF CANCERS HAVING K-RAS MUTATIONS Curis, Inc. (US) 2013-02-20 EP disclosed
WO-2011130628-A1 TREATMENT OF CANCERS HAVING K-RAS MUTATIONS CURIS, INC. (US) 2011-10-20 WO disclosed