SCHEMBL29153758

SCHEMBL29153758

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

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 3/20 0.37
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 4/20 0.34
POLB P06746 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SIRT6 Q8N6T7 1/20 0.31
MAPK1 P28482 1/20 0.30
PKM P14618 1/20 0.30
ABL1 P00519 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
SCHEMBL29153742 0.83 FFAR4 (0.31)
SCHEMBL29153754 0.83 ALDH1A1 (0.37) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL29153765 0.74 ALDH1A1 (0.36) MEN1KMT2AALDH1A1MAPTCYP2C9
SCHEMBL29153752 0.73 ALDH1A1 (0.43) MEN1KMT2AALDH1A1MAPTCYP2C9
SCHEMBL29153751 0.68 ALDH1A1 (0.35) MEN1KMT2AALDH1A1MAPT
SCHEMBL29153759 0.68 RET (0.36) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL29153750 0.66 MEN1 (0.36) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL29153746 0.66 MEN1 (0.36) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL29244741 0.66 MEN1 (0.43) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL19030017 0.63 IRAK4 (0.47) MEN1KMT2AALDH1A1MAPTPOLB

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