SCHEMBL30815754

SCHEMBL30815754

O=[N+]([O-])c1cc(-c2ccccc2)cnc1Nc1ccc(CO)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.51
MAPT P10636 3/20 0.45
MAPK1 P28482 3/20 0.45
POLB P06746 1/20 0.45
GSK3B P49841 4/20 0.44
PIN1 Q13526 1/20 0.43
GSK3A P49840 3/20 0.43
AURKA O14965 2/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
ABCG2 Q9UNQ0 6/20 0.41
ABCB1 P08183 1/20 0.41
EGFR P00533 1/20 0.40
NPC1 O15118 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
JAK2 O60674 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL27226893 1.00 TDP1 (0.51) TDP1MAPTMAPK1POLBGSK3B
SCHEMBL27227037 0.81 TDP1 (0.51) TDP1MAPTMAPK1POLBGSK3B
SCHEMBL30815677 0.81 TDP1 (0.51) TDP1MAPTMAPK1POLBGSK3B
SCHEMBL27226295 0.81 TDP1 (0.51) TDP1MAPTMAPK1POLBGSK3B
SCHEMBL30815932 0.79 MAPT (0.56) TDP1MAPTMAPK1POLBGSK3B
SCHEMBL27227011 0.79 MAPT (0.56) TDP1MAPTMAPK1POLBGSK3B
SCHEMBL30802337 0.78 PRKAA2 (0.51) MAPTMAPK1POLBRAB9A
SCHEMBL30826715 0.77 MAPT (0.64) TDP1MAPTMAPK1NPC1NFKB1
SCHEMBL12970394 0.77 MAPT (0.64) TDP1MAPTMAPK1NPC1NFKB1
SCHEMBL31455064 0.77 GSK3B (0.45) MAPTMAPK1GSK3BPIN1GSK3A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4594318-A1 AKT1 MODULATORS Alterome Therapeutics, Inc. (US) 2025-08-06 EP disclosed
WO-2024073371-A1 AKT1 MODULATORS ALTEROME THERAPEUTICS, INC. (US) 2024-04-04 WO disclosed
WO-2024064026-A1 AKT1 MODULATORS ALTEROME THERAPEUTICS, INC. (US) 2024-03-28 WO disclosed