SCHEMBL30815677

SCHEMBL30815677

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.51
MAPT P10636 4/20 0.47
MAPK1 P28482 3/20 0.47
POLB P06746 1/20 0.47
RAB9A P51151 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
NTRK1 P04629 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MCL1 Q07820 1/20 0.39
PTK2B Q14289 1/20 0.39
ALOX12 P18054 1/20 0.39
NPC1 O15118 1/20 0.39
NFKB1 P19838 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
SCHEMBL27226295 1.00 TDP1 (0.51) TDP1MAPTMAPK1POLBRAB9A
SCHEMBL27227037 0.85 TDP1 (0.51) TDP1MAPTMAPK1POLBRAB9A
SCHEMBL27227100 0.83 MAPT (0.49) TDP1MAPTMAPK1POLBRAB9A
SCHEMBL13506718 0.82 GSK3B (0.56) TDP1MAPTMAPK1POLBALDH1A1
SCHEMBL30815932 0.81 MAPT (0.56) TDP1MAPTMAPK1POLBRAB9A
SCHEMBL27227011 0.81 MAPT (0.56) TDP1MAPTMAPK1POLBRAB9A
SCHEMBL30815754 0.81 TDP1 (0.51) TDP1MAPTMAPK1POLBRAB9A
SCHEMBL27226893 0.81 TDP1 (0.51) TDP1MAPTMAPK1POLBRAB9A
SCHEMBL30826715 0.77 MAPT (0.64) TDP1MAPTMAPK1RAB9AALDH1A1
SCHEMBL12970394 0.77 MAPT (0.64) TDP1MAPTMAPK1RAB9AALDH1A1

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 2 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