SCHEMBL29200495

SCHEMBL29200495

CC(C)(C)NC(=O)OCCCNc1c(OCC2CC2)cc(C(N)=O)cc1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.38
GAA P10253 1/20 0.38
PDE4A P27815 2/20 0.36
PDE4B Q07343 2/20 0.36
PDE4C Q08493 2/20 0.36
PDE4D Q08499 2/20 0.36
KDM4E B2RXH2 1/20 0.35
TP53 P04637 1/20 0.35
HTT P42858 1/20 0.35
CTPS1 P17812 1/20 0.33
ALDH1A1 P00352 3/20 0.33
PARP15 Q460N3 1/20 0.33
PARP10 Q53GL7 1/20 0.33
PARP2 Q9UGN5 1/20 0.33
KMT2A Q03164 1/20 0.33
PRSS1 P07477 4/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
POLB P06746 1/20 0.32
LMNA P02545 1/20 0.31

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
SCHEMBL29200545 0.92 KDM4E (0.37) MAPTGAAKDM4ETP53HTT
SCHEMBL29200502 0.87 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DPARP15
SCHEMBL29200576 0.86 ALDH1A1 (0.40) MAPTGAAKDM4EHTTALDH1A1
SCHEMBL29200547 0.83 KDM4E (0.54) MAPTGAAKDM4EHTTALDH1A1
SCHEMBL28548642 0.83 MAPT (0.45) MAPTGAAPDE4APDE4BPDE4C
SCHEMBL29200485 0.80 IRAK4 (0.33) PDE4APDE4BPDE4CPDE4D
SCHEMBL28509702 0.76 ALDH1A1 (0.43) MAPTGAAKDM4EHTTALDH1A1
SCHEMBL28517495 0.75 MAPT (0.46) MAPTGAAKDM4EALDH1A1PRSS1
SCHEMBL28548656 0.75 MAPT (0.42) MAPTGAAKDM4ETP53HTT
SCHEMBL30803074 0.72 PARP15 (0.46) MAPTPDE4APDE4BPDE4CPDE4D

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-117658992-A Benzimidazole compound, preparation method and pharmaceutical application thereof 中国医学科学院药物研究所 2024-03-08 CN disclosed