SCHEMBL24039057

SCHEMBL24039057

Cc1cc(CNCC(=O)O)cc(/C(N)=N/N=C\N)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC7A5 Q01650 1/20 0.34
▸ GAA P10253 1/20 0.33
▸ HDAC1 Q13547 3/20 0.33
▸ RPS6KB1 P23443 1/20 0.31
▸ MEP1B Q16820 1/20 0.30
▸ AKR1C4 P17516 2/20 0.30
▸ AKR1C3 P42330 2/20 0.30
▸ AKR1C2 P52895 2/20 0.30
▸ AKR1C1 Q04828 1/20 0.30
▸ HDAC3 O15379 1/20 0.30
▸ HDAC4 P56524 1/20 0.30
▸ HDAC7 Q8WUI4 1/20 0.30
▸ HDAC2 Q92769 1/20 0.30
▸ HDAC10 Q969S8 1/20 0.30
▸ HDAC11 Q96DB2 1/20 0.30
▸ HDAC8 Q9BY41 1/20 0.30
▸ HDAC6 Q9UBN7 1/20 0.30
▸ HDAC9 Q9UKV0 1/20 0.30
▸ HDAC5 Q9UQL6 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL24039068 0.79 PTGS2 (0.32) SLC7A5MEP1BL3MBTL1
SCHEMBL24022832 0.75 PRSS1 (0.43) GAA
SCHEMBL16033369 0.75 FFAR1 (0.40) GAARPS6KB1
SCHEMBL24038700 0.74 PARP1 (0.41) L3MBTL1
SCHEMBL24022753 0.73 HDAC8 (0.36) GAAHDAC1HDAC3HDAC4HDAC7
SCHEMBL24022759 0.70 MEN1 (0.44) L3MBTL1
SCHEMBL24022767 0.69 NR1D1 (0.35) HDAC8
SCHEMBL22043790 0.68 PRSS1 (0.33) —
SCHEMBL24038968 0.66 NPC1 (0.41) —
SCHEMBL5060237 0.66 MEP1B (0.50) GAAHDAC1MEP1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021228992-A1 NUCLIDE LABELLED H-TETRAZINES AND USE THEREOF FOR PET AND SPECT PRETARGETED IMAGING AND RADIONUCLIDE THERAPY RIGSHOSPITALET (DK) 2021-11-18 — — WO disclosed
Send feedback