SCHEMBL29794877

SCHEMBL29794877

Fc1cccc(C2COCc3nc4ccc(-c5cnc(N6CCCOCC6)nc5)cc4n32)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.40
MTOR P42345 1/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
AOC3 Q16853 9/20 0.37
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
NTRK1 P04629 1/20 0.36
NTRK3 Q16288 1/20 0.36
NTRK2 Q16620 1/20 0.36
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
MEN1 O00255 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
KMT2A Q03164 1/20 0.35
HIF1A Q16665 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
GRIN2B Q13224 1/20 0.35

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
SCHEMBL18152069 1.00 PIK3CA (0.40) PIK3CAMTORHDAC1HDAC8HDAC6
SCHEMBL18151655 0.97 PIK3CA (0.42) PIK3CAMTORHDAC1HDAC8HDAC6
SCHEMBL18151030 0.97 PIK3CA (0.42) PIK3CAMTORHDAC1HDAC8HDAC6
SCHEMBL18150888 0.91 AOC3 (0.40) PIK3CAMTORAOC3ALOX5APFEN1
SCHEMBL18151375 0.88 AOC3 (0.43) PIK3CAMTORAOC3MEN1CASP1
SCHEMBL18150795 0.88 AOC3 (0.43) PIK3CAMTORAOC3MEN1CASP1
SCHEMBL18150738 0.88 AOC3 (0.43) PIK3CAMTORAOC3MEN1CASP1
SCHEMBL18150942 0.85 SLC6A9 (0.34) PIK3CAMTORHDAC1HDAC8HDAC6
SCHEMBL18151439 0.83 PIK3CA (0.43) PIK3CAMTORAOC3CYP11B1CYP11B2
SCHEMBL29795019 0.83 PIK3CA (0.43) PIK3CAMTORAOC3CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4493221-A2 TARGETED BIFUNCTIONAL DEGRADERS Yale University (US) 2025-01-22 EP disclosed
CN-119212727-A Targeted bifunctional degradants 耶鲁大学 2024-12-27 CN disclosed
WO-2024182772-A2 MANNOSE 6-PHOSPHATE RECEPTOR BINDING COMPOUNDS FOR THE DEGRADATION OF EXTRACELLULAR PROTEINS AVILAR THERAPEUTICS, INC. (US) 2024-09-06 WO disclosed
WO-2023178199-A2 TARGETED BIFUNCTIONAL DEGRADERS YALE UNIVERSITY (US) 2023-09-21 WO disclosed
EP-4041262-A1 TARGETED BIFUNCTIONAL DEGRADERS Yale University (US) 2022-08-17 EP disclosed