SCHEMBL30898642

SCHEMBL30898642

Cc1ccc(-c2ccc3c(c2)N(C)CC32CCOCC2)cc1C(N)=O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 2/20 0.45
PDE4B Q07343 7/20 0.37
AKT1 P31749 2/20 0.35
MAP4K1 Q92918 1/20 0.35
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
HASPIN Q8TF76 1/20 0.33
CDK19 Q9BWU1 1/20 0.33
NOTUM Q6P988 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CTSC P53634 1/20 0.33
PIK3CA P42336 1/20 0.32
ACLY P53396 1/20 0.32
CDC7 O00311 1/20 0.32
CDK9 P50750 1/20 0.32

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
SCHEMBL30898671 0.84 SLC18A3 (0.37) EZH2PDE4BCCNCCDK8HASPIN
SCHEMBL30898645 0.76 EZH2 (0.41) EZH2MAP4K1CTSC
SCHEMBL30898619 0.73 MAPK14 (0.57) EZH2
SCHEMBL30898621 0.73 MAPK14 (0.57) EZH2
SCHEMBL22471368 0.71 EZH2 (0.69) EZH2
SCHEMBL30898614 0.70 BRD4 (0.40) PDE4BAKT1MEN1KMT2A
SCHEMBL30898661 0.70 BRD4 (0.40) PDE4BAKT1MEN1KMT2A
SCHEMBL22471588 0.69 PIK3CA (0.45) AKT1NOTUMPIK3CAACLY
SCHEMBL24219917 0.69 EZH2 (0.68) EZH2
SCHEMBL30898657 0.68 TDP2 (0.38) PDE4BMEN1KMT2A

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
CN-113330008-B Preparation method of amide compound and application of amide compound in medicine field 上海华汇拓医药科技有限公司 2024-05-07 CN disclosed