SCHEMBL30802410

SCHEMBL30802410

CCCCOC(=O)NCc1ccc(Nc2ncccc2[N+](=O)[O-])cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.59
NPC1 O15118 3/20 0.59
RAB9A P51151 2/20 0.59
NFKB1 P19838 1/20 0.59
MAPK1 P28482 1/20 0.59
NFKB2 Q00653 1/20 0.59
RELA Q04206 1/20 0.59
FAAH O00519 3/20 0.45
LMNA P02545 2/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
GAA P10253 1/20 0.43
PKM P14618 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
ALOX12 P18054 1/20 0.40
EGFR P00533 1/20 0.39
KDR P35968 1/20 0.39

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
SCHEMBL30802397 0.84 MAPT (0.43) MAPTNPC1RAB9ANFKB1MAPK1
SCHEMBL30815412 0.83 MAPT (0.57) MAPTNPC1RAB9ANFKB1MAPK1
SCHEMBL27227083 0.83 MAPT (0.57) MAPTNPC1RAB9ANFKB1MAPK1
SCHEMBL30802494 0.82 MAPT (0.63) MAPTNPC1RAB9ANFKB1MAPK1
SCHEMBL3262241 0.77 MAPT (0.68) MAPTNPC1RAB9ANFKB1MAPK1
SCHEMBL7799200 0.76 MGLL (0.56) MAPTFAAHLMNAMEN1KMT2A
SCHEMBL1408475 0.76 MAPT (0.64) MAPTNPC1RAB9ANFKB1MAPK1
SCHEMBL527627 0.75 RAB9A (1.00) MAPTNPC1RAB9ANFKB1MAPK1
SCHEMBL12970394 0.75 MAPT (0.64) MAPTNPC1RAB9ANFKB1MAPK1
SCHEMBL30826715 0.75 MAPT (0.64) MAPTNPC1RAB9ANFKB1MAPK1

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-2024054512-A1 AKT1 MODULATORS ALTEROME THERAPEUTICS, INC. (US) 2024-03-14 WO disclosed