SCHEMBL30729403

SCHEMBL30729403

CC(O)CC1CCCN(c2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.56
ALDH1A1 P00352 3/20 0.56
MAPK1 P28482 1/20 0.56
LMNA P02545 2/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SIRT6 Q8N6T7 1/20 0.45
HTR1A P08908 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 1/20 0.43
POLB P06746 1/20 0.42

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
SCHEMBL27113257 0.83 MAPT (0.61) MAPTALDH1A1MAPK1LMNAMEN1
SCHEMBL4714774 0.83 MAPT (0.58) MAPTALDH1A1MAPK1LMNAMEN1
SCHEMBL19221763 0.81 MAPT (0.56) MAPTALDH1A1MAPK1LMNAMEN1
SCHEMBL30729399 0.81 MAPT (0.42) MAPTALDH1A1MAPK1LMNAMEN1
SCHEMBL520304 0.78 LMNA (0.60) MAPTALDH1A1MAPK1LMNAMEN1
SCHEMBL19221765 0.78 MAPT (0.53) MAPTALDH1A1MAPK1LMNAMEN1
SCHEMBL9983992 0.76 MAPT (0.61) MAPTALDH1A1MAPK1LMNAMEN1
SCHEMBL2018527 0.76 MAPT (0.61) MAPTALDH1A1MAPK1LMNAMEN1
SCHEMBL16651521 0.76 MAPT (0.61) MAPTALDH1A1MAPK1LMNAMEN1
SCHEMBL6610334 0.76 MAPT (0.61) MAPTALDH1A1MAPK1LMNAMEN1

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-117377673-A HPK1 antagonists and uses thereof 林伯士萨顿公司 2024-01-09 CN disclosed