SCHEMBL482239

SCHEMBL482239

CC(C)(C)OC(=O)NCc1ccc(OBOc2ccc(CNC(=O)OC(C)(C)C)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.51
NAMPT P43490 2/20 0.49
GAA P10253 1/20 0.49
HDAC1 Q13547 2/20 0.48
CA1 P00915 3/20 0.46
CA2 P00918 2/20 0.46
NR1H4 Q96RI1 5/20 0.46
EPHX2 P34913 4/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPT P10636 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
RECQL P46063 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KDM4A O75164 1/20 0.43
CA12 O43570 2/20 0.43
CA7 P43166 1/20 0.43
CA14 Q9ULX7 1/20 0.43

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
SCHEMBL12133929 0.90 L3MBTL1 (0.50) L3MBTL1NAMPTGAAHDAC1CA1
SCHEMBL3180689 0.87 L3MBTL1 (0.61) L3MBTL1NAMPTGAAHDAC1CA1
SCHEMBL11957489 0.84 L3MBTL1 (0.53) L3MBTL1NAMPTGAAHDAC1CA1
SCHEMBL7652554 0.84 NPC1 (0.58) L3MBTL1NAMPTGAAHDAC1NR1H4
SCHEMBL7448984 0.84 TSHR (0.54) L3MBTL1GAANR1H4EPHX2MEN1
SCHEMBL7847360 0.83 EPHX2 (0.56) L3MBTL1NAMPTGAANR1H4EPHX2
SCHEMBL7551243 0.82 L3MBTL1 (0.51) L3MBTL1NAMPTGAAHDAC1CA1
SCHEMBL26148065 0.81 L3MBTL1 (0.53) L3MBTL1NAMPTGAAHDAC1CA1
SCHEMBL12685839 0.81 L3MBTL1 (0.56) L3MBTL1NAMPTGAAHDAC1CA1
SCHEMBL5796279 0.81 L3MBTL1 (0.56) L3MBTL1NAMPTGAAHDAC1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2457913-B1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARM LLC (US) 2017-04-19 EP disclosed
EP-2090577-B1 Heteroaryl compounds, compositions thereof, and their use as protein kinase inhibitors SIGNAL PHARM LLC (US) 2017-04-05 EP disclosed
EP-2457913-A2 Heteroaryl compounds, compositions thereof, and methods of treatment therewith Signal Pharmaceuticals LLC (US) 2012-05-30 EP disclosed
EP-2078016-B1 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2012-02-01 EP disclosed
EP-2090577-A2 Heteroaryl compounds, compositions thereof, and their use as protein kinase inhibitors Signal Pharmaceuticals LLC (US) 2009-08-19 EP disclosed
EP-2078016-A2 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH Signal Pharmaceuticals LLC (US) 2009-07-15 EP disclosed
WO-2008051493-A2 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND THEIR USE AS PROTEIN KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2008-05-02 WO disclosed