SCHEMBL31455212

SCHEMBL31455212

COC(=O)C1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.68
MAPT P10636 3/20 0.65
GAA P10253 1/20 0.64
HTT P42858 3/20 0.59
KMT2A Q03164 6/20 0.56
TSHR P16473 2/20 0.54
MEN1 O00255 4/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
NAMPT P43490 1/20 0.53
RAB9A P51151 1/20 0.52
LMNA P02545 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
EPHX2 P34913 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL31455191 0.93 GAA (0.61) ALDH1A1MAPTGAAHTTKMT2A
SCHEMBL28813844 0.82 GAA (0.85) ALDH1A1MAPTGAAHTTKMT2A
SCHEMBL31455409 0.82 ALDH1A1 (0.75) ALDH1A1MAPTGAAHTTKMT2A
SCHEMBL8483965 0.80 MAPT (0.65) MAPTKMT2A
SCHEMBL14574134 0.80 GAA (0.97) ALDH1A1GAAKMT2AMEN1SMN1; SMN2
SCHEMBL13841221 0.80 GAA (0.63) ALDH1A1MAPTGAAHTTKMT2A
SCHEMBL596038 0.79 MAPT (1.00) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL14574146 0.79 GAA (0.74) ALDH1A1MAPTGAAHTTKMT2A
SCHEMBL9435700 0.78 GAA (1.00) ALDH1A1GAAKMT2AMEN1SMN1; SMN2
SCHEMBL14574147 0.78 GAA (0.61) ALDH1A1MAPTGAAHTTKMT2A

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-2025059577-A1 SUBSTITUTED AMINOPYRIDINE COMPOUNDS FOR USE AS AKT1 INHIBITORS ATAVISTIK BIO, INC. (US) 2025-03-20 WO disclosed