SCHEMBL29153754

SCHEMBL29153754

[CH2][C@@H]1CCCN(c2c([N+](=O)[O-])cc3c(c2C#N)OC(C)(C)C3)C1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
IRAK4 Q9NWZ3 1/20 0.34
MAPT P10636 3/20 0.33
HTT P42858 1/20 0.33
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL29153765 0.91 ALDH1A1 (0.36) ALDH1A1MEN1KMT2AMAPTHTT
SCHEMBL29153751 0.85 ALDH1A1 (0.35) ALDH1A1MEN1KMT2AMAPTHTT
SCHEMBL29153756 0.83 IRAK4 (0.34) IRAK4
SCHEMBL29153758 0.83 MEN1 (0.37) ALDH1A1MEN1KMT2AMAPTCYP2C9
SCHEMBL29153750 0.82 MEN1 (0.36) ALDH1A1MEN1KMT2AIRAK4MAPT
SCHEMBL29153746 0.82 MEN1 (0.36) ALDH1A1MEN1KMT2AIRAK4MAPT
SCHEMBL19030017 0.81 IRAK4 (0.47) ALDH1A1MEN1KMT2AIRAK4MAPT
SCHEMBL29153759 0.80 RET (0.36) ALDH1A1MEN1KMT2AIRAK4MAPT
SCHEMBL29153761 0.80 RET (0.36) ALDH1A1MEN1KMT2AIRAK4MAPT
SCHEMBL29153755 0.80 MEN1 (0.36) ALDH1A1MEN1KMT2AIRAK4MAPT

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