SCHEMBL29153759

SCHEMBL29153759

CN(C(=O)OC(C)(C)C)[C@H]1CCCN(c2c([N+](=O)[O-])cc3c(c2C#N)OC(C)(C)C3)C1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.35
KIF18A Q8NI77 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
LCK P06239 1/20 0.32
JAK3 P52333 1/20 0.32
BTK Q06187 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
KDM4D Q6B0I6 1/20 0.31
MAPT P10636 2/20 0.31
TDP1 Q9NUW8 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
SCHEMBL29153761 1.00 RET (0.36) RETMEN1KMT2AALDH1A1KIF18A
SCHEMBL29153755 0.83 MEN1 (0.36) MEN1KMT2AALDH1A1IRAK4MAPT
SCHEMBL30862503 0.82 IRAK1 (0.38) MEN1KMT2AALDH1A1IRAK4JAK3
SCHEMBL30862497 0.81 MEN1 (0.33) MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL29153754 0.80 ALDH1A1 (0.37) MEN1KMT2AALDH1A1IRAK4SMN1; SMN2
SCHEMBL29153750 0.78 MEN1 (0.36) MEN1KMT2AALDH1A1IRAK4SMN1; SMN2
SCHEMBL29153746 0.78 MEN1 (0.36) MEN1KMT2AALDH1A1IRAK4SMN1; SMN2
SCHEMBL30862510 0.77 RET (0.39) RETALDH1A1IRAK4MAPT
SCHEMBL30862496 0.77 MEN1 (0.33) MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL29153765 0.73 ALDH1A1 (0.36) MEN1KMT2AALDH1A1MAPT

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-117510497-A DGK zeta inhibitors 山东轩竹医药科技有限公司 2024-02-06 CN disclosed