SCHEMBL28831016

SCHEMBL28831016

CN(C)c1ccccc1CNC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.49
KDM4A O75164 1/20 0.48
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA7 P43166 1/20 0.45
CA14 Q9ULX7 1/20 0.45
MALT1 Q9UDY8 1/20 0.43
NAMPT P43490 2/20 0.43
HDAC10 Q969S8 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
NQO2 P16083 1/20 0.41
IDO1 P14902 1/20 0.40
APP P05067 1/20 0.40
CKS1B P61024 1/20 0.40
SKP1 P63208 1/20 0.40
SKP2 Q13309 1/20 0.40
AKT1 P31749 2/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
HDAC1 Q13547 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
SCHEMBL24352770 0.88 KCNA5 (0.49) KCNA5KDM4ACA12CA1CA7
SCHEMBL30159605 0.86 KCNA5 (0.56) KCNA5KDM4ACA12CA1CA7
SCHEMBL8018113 0.86 KCNA5 (0.56) KCNA5KDM4ACA12CA1CA7
SCHEMBL12280397 0.85 KMT2A (0.47) KCNA5KDM4ACA12CA1CA7
SCHEMBL6281581 0.81 KDM4A (0.41) KCNA5KDM4ACA12CA1CA7
SCHEMBL21048808 0.80 TP53 (0.44) KCNA5KDM4ACA12CA1CA7
SCHEMBL6874894 0.80 KCNA5 (0.52) KCNA5KDM4ACA12CA1CA7
SCHEMBL30454240 0.80 KCNA5 (0.52) KCNA5KDM4ACA12CA1CA7
SCHEMBL5792738 0.80 KCNA5 (0.52) KCNA5KDM4ACA12CA1CA7
SCHEMBL3124959 0.80 ALDH1A1 (0.55) KCNA5KDM4ALMNAPOLBL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114957219-B Degradation agent for targeted degradation of Gli1 protein, preparation method and application thereof 苏州大学 2023-12-15 CN claimed
CN-114957219-A Degradation agent for targeted degradation of Gli1 protein and preparation method and application thereof 苏州大学 2022-08-30 CN claimed
CN-114957219-B Degradation agent for targeted degradation of Gli1 protein, preparation method and application thereof 苏州大学 2023-12-15 CN disclosed
CN-114957219-A Degradation agent for targeted degradation of Gli1 protein and preparation method and application thereof 苏州大学 2022-08-30 CN disclosed