SCHEMBL31455874

SCHEMBL31455874

CC(C)(C)OC(=O)NCc1ccc(Nc2ccccc2[N+](=O)[O-])cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.52
MAPT P10636 3/20 0.52
KMT2A Q03164 3/20 0.52
TDP1 Q9NUW8 2/20 0.52
MEN1 O00255 2/20 0.52
GAA P10253 1/20 0.52
PKM P14618 1/20 0.52
ALDH1A1 P00352 3/20 0.50
NAMPT P43490 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
CASP7 P55210 1/20 0.50
BRD4 O60885 1/20 0.48
HPGD P15428 1/20 0.46
HDAC1 Q13547 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
LMNA P02545 2/20 0.42
HTT P42858 1/20 0.42
MAPK13 O15264 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
SCHEMBL30336821 0.88 MAPT (0.57) MAPK1MAPTKMT2AMEN1GAA
SCHEMBL25717381 0.88 MAPT (0.57) MAPK1MAPTKMT2AMEN1GAA
SCHEMBL31420355 0.85 FPR3 (0.45) MAPTKMT2ATDP1MEN1GAA
SCHEMBL8083578 0.84 HDAC1 (0.60) MAPK1MAPTKMT2ATDP1GAA
SCHEMBL31455743 0.83 MAPK1 (0.48) MAPK1KMT2AMEN1PKMNAMPT
SCHEMBL27227083 0.83 MAPT (0.57) MAPK1MAPTKMT2ATDP1MEN1
SCHEMBL30815412 0.83 MAPT (0.57) MAPK1MAPTKMT2ATDP1MEN1
SCHEMBL16239229 0.82 NAMPT (0.46) MAPK1MAPTTDP1NAMPTL3MBTL1
SCHEMBL6177114 0.82 MAPK1 (0.63) MAPK1MAPTKMT2ATDP1MEN1
SCHEMBL6177108 0.82 MAPK1 (0.63) MAPK1MAPTKMT2ATDP1MEN1

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-2025059562-A1 SUBSTITUTED AMINOPYRIDINE COMPOUNDS AND METHODS OF TREATING DISEASE USING SAME ATAVISTIK BIO, INC. (US) 2025-03-20 WO disclosed