SCHEMBL24802457

SCHEMBL24802457

COc1ncc(C)cc1CC(=O)N(C)C

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC13A5 Q86YT5 3/20 0.49
SLC13A2 Q13183 1/20 0.49
SLC13A3 Q8WWT9 1/20 0.49
POLB P06746 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
F10 P00742 1/20 0.33
TSPO P30536 1/20 0.33
PIK3C3 Q8NEB9 1/20 0.33
DPP4 P27487 2/20 0.33
GAA P10253 1/20 0.33
NNMT P40261 1/20 0.33
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
GRIN2B Q13224 2/20 0.32
ATM Q13315 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
SCHEMBL24803636 0.84 SLC13A5 (0.34) SLC13A5SLC13A2SLC13A3POLBF10
SCHEMBL30148613 0.82 MEN1 (0.37) SLC13A5SLC13A2SLC13A3MEN1KMT2A
SCHEMBL24802420 0.81 SLC13A5 (0.33) SLC13A5SLC13A2SLC13A3POLBMEN1
Hydrochloric Acid SCHEMBL30772216 0.80 SLC13A5 (0.33) SLC13A5SLC13A2SLC13A3POLBMEN1
SCHEMBL24802437 0.80 GAA (0.35) SLC13A5SLC13A2SLC13A3GAAGRIN2B
SCHEMBL29180863 0.79 ALDH1A1 (0.35) SLC13A5SLC13A2SLC13A3POLBMEN1
SCHEMBL30772210 0.79 MAPT (0.39) POLBMEN1KMT2AGAAATM
SCHEMBL30148608 0.77 ACHE (0.36) POLBCYP4F2CYP4A11
SCHEMBL12093547 0.77 SLC13A5 (0.51) SLC13A5SLC13A2SLC13A3
SCHEMBL30772175 0.75 BRD4 (0.34) SLC13A5SLC13A2SLC13A3MEN1KMT2A

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-2022268209-A1 DERIVATIVE HAVING PYRIMIDINE-FUSED CYCLIC STRUCTURE, AND USE THEREOF 四川汇宇制药股份有限公司 2022-12-29 WO disclosed