SCHEMBL8698193

SCHEMBL8698193

CNCc1ccc(-c2ccccc2CNC(=O)OC(C)(C)C)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.52
HDAC1 Q13547 2/20 0.47
NAMPT P43490 2/20 0.46
AKT1 P31749 1/20 0.44
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
KDM4A O75164 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA7 P43166 1/20 0.42
CA14 Q9ULX7 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GRM2 Q14416 1/20 0.41
MALT1 Q9UDY8 1/20 0.41
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
GAA P10253 1/20 0.40
SDCBP O00560 1/20 0.40

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
SCHEMBL7791651 0.90 KCNA5 (0.54) KCNA5HDAC1NAMPTAKT1CTSS
SCHEMBL3750932 0.85 KCNA5 (0.54) KCNA5HDAC1CTSSCTSKKDM4A
SCHEMBL12050574 0.85 KCNA5 (0.54) KCNA5HDAC1NAMPTAKT1HDAC10
SCHEMBL7862318 0.84 KCNA5 (0.53) KCNA5HDAC1NAMPTHDAC10HDAC6
SCHEMBL8697069 0.82 KCNA5 (0.47) KCNA5HDAC1NAMPTAKT1HDAC10
SCHEMBL12685839 0.82 L3MBTL1 (0.56) HDAC1NAMPTCTSKHDAC10HDAC6
SCHEMBL9090245 0.82 KCNA5 (0.47) KCNA5HDAC1NAMPTAKT1HDAC10
SCHEMBL8254926 0.81 KCNA5 (0.61) KCNA5HDAC1NAMPTHDAC10HDAC6
SCHEMBL2573836 0.81 HDAC1 (0.57) KCNA5HDAC1NAMPTAKT1KDM4A
SCHEMBL8018113 0.79 KCNA5 (0.56) KCNA5HDAC1NAMPTCTSSCTSK

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
US-5726319-A Biphenyl substituted dipeptide analogs promote release of growth hormone MERCK & CO., INC. (US) 1998-03-10 US disclosed