SCHEMBL31010043

SCHEMBL31010043

COc1c(C)cc(Cn2cccn2)cc1C

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.42
KAT7 O95251 13/20 0.42
KAT6A Q92794 13/20 0.42
KAT6B Q8WYB5 9/20 0.42
KAT5 Q92993 9/20 0.42
KAT8 Q9H7Z6 9/20 0.42
GAA P10253 2/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 1/20 0.42
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
USP2 O75604 1/20 0.39
PDE4B Q07343 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
SCHEMBL31010070 0.84 KAT7 (0.35) KAT7KAT6AKAT6BKAT5KAT8
SCHEMBL31010071 0.80 KAT7 (0.50) HTTKAT7KAT6AKAT6BKAT5
SCHEMBL28205957 0.78 CYP11B1 (0.49) HTTKAT7KAT6AKAT6BKAT5
SCHEMBL30538376 0.77 GAA (0.51) HTTKAT7KAT6AKAT6BKAT5
SCHEMBL21668143 0.74 MEN1 (0.42) HTTKAT7KAT6AKAT6BKAT5
SCHEMBL19366156 0.74 HTT (0.40) HTTKAT7KAT6AKAT6BKAT5
SCHEMBL3319825 0.73 MAPT (0.55) HTTKAT7KAT6AGAAMAPT
SCHEMBL5905949 0.73 NOS3 (0.50) HTTGAAMAPTMEN1TSHR
SCHEMBL30046633 0.73 MEN1 (0.59) HTTKAT7KAT6AGAAMAPT
SCHEMBL5792386 0.73 MEN1 (0.59) HTTKAT7KAT6AGAAMAPT

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-4646410-A1 TUBULIN POLYMERIZATION INHIBITORS AB Science (FR) 2025-11-12 EP disclosed
WO-2024146923-A1 TUBULIN POLYMERIZATION INHIBITORS AB SCIENCE (FR) 2024-07-11 WO disclosed