SCHEMBL25201032

SCHEMBL25201032

CC(C)(C)OC(=O)NC12CNC[C@H]1C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
GAA P10253 2/20 0.36
EPHX2 P34913 2/20 0.33
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
BTK Q06187 1/20 0.31
CACNA1H O95180 1/20 0.31
IDO1 P14902 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 1/20 0.30
APH1A Q96BI3 1/20 0.30
PSENEN Q9NZ42 1/20 0.30
DPP8 Q6V1X1 1/20 0.30

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
SCHEMBL30325623 1.00 MEN1 (0.39) MEN1MAPK1KMT2AGAAEPHX2
SCHEMBL2301080 1.00 MEN1 (0.39) MEN1MAPK1KMT2AGAAEPHX2
SCHEMBL21335536 1.00 MEN1 (0.39) MEN1MAPK1KMT2AGAAEPHX2
SCHEMBL26607392 1.00 MEN1 (0.39) MEN1MAPK1KMT2AGAAEPHX2
SCHEMBL2670204 0.86 MEN1 (0.35) MEN1MAPK1KMT2AGAABTK
SCHEMBL4748874 0.86 MEN1 (0.37) MEN1MAPK1KMT2AGAAEPHX2
SCHEMBL2670376 0.86 MEN1 (0.37) MEN1MAPK1KMT2AGAAEPHX2
SCHEMBL4918795 0.85 MEN1 (0.38) MEN1MAPK1KMT2AGAAEPHX2
SCHEMBL2670103 0.85 MEN1 (0.38) MEN1MAPK1KMT2AGAAEPHX2
SCHEMBL7517321 0.85 PSEN1 (0.35) MEN1MAPK1KMT2AGAAEPHX2

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-2023091456-A1 N-(2H-INDAZOL-5-YL)PYRAZINE-2-CARBOXAMIDE DERIVATIVES AND SIMILAR COMPOUNDS AS HTT MODULATORS FOR THE TREATMENT OF HUNTINGTON'S DISEASE CHDI FOUNDATION, INC. (US) 2023-05-25 WO disclosed