SCHEMBL30802463

SCHEMBL30802463

O=C(O)NCc1ccc(Nc2ncc(Br)cc2[N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.53
MAPT P10636 4/20 0.47
MAPK1 P28482 3/20 0.47
POLB P06746 1/20 0.47
ATG4B Q9Y4P1 1/20 0.42
NPC1 O15118 1/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
GSK3B P49841 3/20 0.40
HPGD P15428 3/20 0.40
AURKA O14965 2/20 0.40
GSK3A P49840 2/20 0.40
ALOX12 P18054 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL27227037 0.85 TDP1 (0.51) TDP1MAPTMAPK1POLBNPC1
SCHEMBL20603986 0.85 TDP1 (0.57) TDP1MAPTMAPK1POLBNPC1
SCHEMBL2173703 0.85 IGF1R (0.47) TDP1MAPTMAPK1POLBNPC1
SCHEMBL30802397 0.83 MAPT (0.43) TDP1MAPTMAPK1POLBNPC1
SCHEMBL27878084 0.81 MAPT (0.45) TDP1MAPTMAPK1POLBNPC1
SCHEMBL10138757 0.81 GSK3B (0.56) TDP1MAPTMAPK1POLBKMT2A
SCHEMBL30802494 0.80 MAPT (0.63) TDP1MAPTMAPK1NPC1NFKB1
SCHEMBL30802282 0.78 SIGMAR1 (0.48) TDP1MAPK1KMT2A
SCHEMBL2964811 0.77 AR (0.51) TDP1MAPTNPC1RAB9AKMT2A
SCHEMBL20603989 0.77 TDP1 (0.50) TDP1MAPTMAPK1POLBNPC1

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