SCHEMBL30898657

SCHEMBL30898657

CC(C)C(C)N1CC2(CCOCC2)c2ccc(-c3cccc(C(N)=O)c3)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.38
ADAMTS4 O75173 1/20 0.37
DPP4 P27487 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
PDE4B Q07343 4/20 0.35
ROCK2 O75116 1/20 0.35
MAP3K14 Q99558 1/20 0.35
STK4 Q13043 1/20 0.35
STK3 Q13188 1/20 0.35
LRRK2 Q5S007 1/20 0.35
ATR Q13535 1/20 0.35
HPGD P15428 1/20 0.35
PDK2 Q15119 1/20 0.35
MEN1 O00255 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
ERN1 O75460 1/20 0.34
FYN P06241 1/20 0.34
BRD4 O60885 1/20 0.34
LIPG Q9Y5X9 1/20 0.34

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
SCHEMBL30898661 0.80 BRD4 (0.40) TDP2PDE4BROCK2MAP3K14STK4
SCHEMBL30898614 0.80 BRD4 (0.40) TDP2PDE4BROCK2MAP3K14STK4
SCHEMBL30898609 0.79 BRD4 (0.37) TDP2PDE4BROCK2MAP3K14STK4
SCHEMBL22479496 0.73 PIK3CA (0.41) BACE1
SCHEMBL30898718 0.73 MAP3K14 (0.44) TDP2MAP3K14STK4STK3LRRK2
SCHEMBL30898683 0.72 TDP2 (0.43) TDP2MAP3K14STK4STK3LRRK2
SCHEMBL30898666 0.71 TDP2 (0.45) TDP2ROCK2STK4STK3LRRK2
SCHEMBL22479500 0.68 BACE1 (0.33) LIPGBACE1
SCHEMBL30898642 0.68 EZH2 (0.45) PDE4BMEN1KMT2A
SCHEMBL30898644 0.68 TDP2 (0.43) TDP2DPP4MAP3K14STK4STK3

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