SCHEMBL31033464

SCHEMBL31033464

CN(CCCOc1ccc([N+](=O)[O-])c(F)c1)C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.46
MAPT P10636 2/20 0.39
RAPGEF3 O95398 1/20 0.38
BCHE P06276 6/20 0.37
ACHE P22303 6/20 0.37
GPR119 Q8TDV5 1/20 0.37
KDM4E B2RXH2 2/20 0.37
KAT6A Q92794 1/20 0.37
KAT5 Q92993 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HTT P42858 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL31033433 0.86 PDK2 (0.43) PDK2MAPTBCHEACHEKDM4E
SCHEMBL21163804 0.82 PDK2 (0.49) PDK2MAPTGPR119KDM4EKAT6A
SCHEMBL21460898 0.79 CA12 (0.56) PDK2MAPTRAPGEF3BCHE
SCHEMBL21114101 0.79 PDK2 (0.48) PDK2MAPTGPR119KDM4EKAT6A
SCHEMBL18121907 0.78 ATM (0.36) PDK2MAPTHTTATMTDP1
SCHEMBL21601209 0.78 PDK2 (0.57) PDK2GPR119KDM4EKAT6AKAT5
SCHEMBL30952855 0.78 RAPGEF3 (0.47) MAPTRAPGEF3KDM4EHTTATM
SCHEMBL3445247 0.78 RAPGEF3 (0.47) MAPTRAPGEF3KDM4EHTTATM
SCHEMBL16406354 0.78 CA12 (0.55) PDK2MAPTRAPGEF3BCHEMEN1
SCHEMBL21114051 0.78 PDK2 (0.48) PDK2MAPTGPR119KDM4EMEN1

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-2024175905-A1 DIMER COMPOUNDS Kesmalea Therapeutics Limited (GB) 2024-08-29 WO disclosed