SCHEMBL31010071

SCHEMBL31010071

COc1cc(Cn2cccn2)cc(OC)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KAT7 O95251 9/20 0.50
KAT6A Q92794 9/20 0.50
KAT6B Q8WYB5 6/20 0.47
KAT8 Q9H7Z6 6/20 0.47
KAT5 Q92993 5/20 0.47
HTT P42858 2/20 0.46
GAA P10253 2/20 0.46
MAPT P10636 2/20 0.46
USP2 O75604 1/20 0.46
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
TSHR P16473 1/20 0.43
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
PDE4B Q07343 1/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL30046633 0.85 MEN1 (0.59) KAT7KAT6AHTTGAAMAPT
SCHEMBL5792386 0.85 MEN1 (0.59) KAT7KAT6AHTTGAAMAPT
SCHEMBL3319825 0.83 MAPT (0.55) KAT7KAT6AHTTGAAMAPT
SCHEMBL31010043 0.80 HTT (0.42) KAT7KAT6AKAT6BKAT8KAT5
Boric Acid SCHEMBL28068644 0.78 NOS3 (0.52) HTTGAAMAPTUSP2MEN1
SCHEMBL28205957 0.77 CYP11B1 (0.49) KAT7KAT6AKAT6BKAT8KAT5
SCHEMBL28238249 0.76 LPO (0.46) MAPTMEN1KMT2ATSHR
SCHEMBL26074284 0.75 GAA (0.48) KAT7KAT6AKAT6BKAT8KAT5
SCHEMBL29008820 0.73 KDM4E (0.52) KAT7KAT6AKAT6BKAT8KAT5
SCHEMBL27874761 0.73 SIGMAR1 (0.57) MEN1KMT2A

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