SCHEMBL30953771

SCHEMBL30953771

CC(C)(C)OC(=O)N1CC2(CC(=O)c3ccncc3O2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.47
CDK8 P49336 1/20 0.47
HASPIN Q8TF76 1/20 0.47
GPR119 Q8TDV5 6/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
BUB1 O43683 1/20 0.39
NR1H2 P55055 1/20 0.38
NAMPT P43490 6/20 0.38
CYP11B2 P19099 1/20 0.37
GPR183 P32249 1/20 0.37

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
SCHEMBL18572347 0.90 CCNC (0.50) CCNCCDK8HASPINGPR119HDAC3
SCHEMBL23928877 0.84 ATM (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL19839814 0.81 KMT2A (0.50) CCNCCDK8HASPINGPR119HDAC3
SCHEMBL30016576 0.80 HDAC3 (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL23928845 0.80 CHRNA7 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL24408866 0.79 GPR119 (0.48) CCNCCDK8HASPINGPR119NAMPT
SCHEMBL3589220 0.79 HDAC3 (0.41) GPR119HDAC3HDAC4HDAC1HDAC7
SCHEMBL30953804 0.78 ALDH1A1 (0.43) GPR119HDAC3HDAC4HDAC1HDAC7
SCHEMBL18572366 0.78 CCNC (0.47) CCNCCDK8HASPINGPR119NAMPT
SCHEMBL22520386 0.78 CCNC (0.49) CCNCCDK8HASPINGPR119NAMPT

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
WO-2024140431-A1 COMPOUNDS COMPRISING HETEROARYL RINGS AND COMPOSITIONS AND METHODS THEREOF IONGEN THERAPEUTICS CO., LTD. (CN) 2024-07-04 WO disclosed