SCHEMBL31455242

SCHEMBL31455242

CC(C)(C)OC(=O)Nc1ccc(Nc2cc(N3CCOCC3)ccc2[N+](=O)[O-])cc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 16/20 0.61
MAPK1 P28482 5/20 0.61
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
TDP1 Q9NUW8 3/20 0.61
ALDH1A1 P00352 7/20 0.58
SMN1; SMN2 Q16637 2/20 0.53
NPSR1 Q6W5P4 2/20 0.52
LMNA P02545 1/20 0.52
HTT P42858 1/20 0.52
PRKDC P78527 1/20 0.49
PKM P14618 1/20 0.49
HPGD P15428 1/20 0.48

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
SCHEMBL25315369 0.90 MAPT (0.64) MAPTMAPK1MEN1KMT2ATDP1
SCHEMBL29524516 0.90 MAPT (0.64) MAPTMAPK1MEN1KMT2ATDP1
SCHEMBL21588984 0.84 MAPT (0.55) MAPTMAPK1MEN1KMT2ATDP1
SCHEMBL8346062 0.82 PRKDC (0.63) MAPTMAPK1ALDH1A1SMN1; SMN2LMNA
SCHEMBL16071546 0.79 MAPT (0.62) MAPTMAPK1MEN1KMT2AALDH1A1
SCHEMBL1844193 0.79 MAPT (0.74) MAPTMAPK1MEN1KMT2ATDP1
SCHEMBL29523841 0.79 MAPT (0.63) MAPTMAPK1MEN1KMT2AALDH1A1
SCHEMBL12466626 0.79 MAPT (0.63) MAPTMAPK1MEN1KMT2AALDH1A1
SCHEMBL31455388 0.78 PRMT1 (0.46) MAPTMAPK1MEN1KMT2ATDP1
SCHEMBL31144715 0.78 PRMT1 (0.46) MAPTMAPK1MEN1KMT2AALDH1A1

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