SCHEMBL30206507

SCHEMBL30206507

CC(C)CNc1cccc(N(C)Cc2cncn2C(=O)OC(C)(C)C)c1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 2/20 0.33
▸ SLC16A3 O15427 1/20 0.33
▸ SLC16A1 P53985 1/20 0.33
▸ MCTS1 Q9ULC4 1/20 0.33
▸ IDO1 P14902 1/20 0.32
▸ HDAC4 P56524 1/20 0.31
▸ MEF2D Q14814 1/20 0.31
▸ IRAK4 Q9NWZ3 1/20 0.31
▸ NR1H2 P55055 1/20 0.30
▸ SCN4A P35499 1/20 0.30
▸ SCN3A Q9NY46 1/20 0.30
▸ BRD4 O60885 1/20 0.30
▸ JAK2 O60674 1/20 0.30
▸ JAK3 P52333 1/20 0.30
▸ PTK2 Q05397 1/20 0.30
▸ FYN P06241 1/20 0.30
▸ GPR119 Q8TDV5 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
SCHEMBL30206374 0.81 HSP90AA1 (0.37) NR1H2SCN4ASCN3AJAK3
SCHEMBL30206397 0.80 NPC1 (0.42) SCN4ASCN3A
SCHEMBL30206479 0.72 — —
SCHEMBL4149607 0.66 PIM1 (0.37) IDO1NR1H2GPR119
SCHEMBL16060936 0.65 PIM1 (0.36) IDO1NR1H2GPR119
SCHEMBL20864185 0.65 FAAH (0.43) IDO1GPR119
SCHEMBL6555080 0.64 PIM1 (0.35) IDO1GPR119
SCHEMBL8312657 0.64 GPR119 (0.36) IDO1NR1H2GPR119
SCHEMBL13811785 0.64 ACE (0.36) IDO1
SCHEMBL30206551 0.63 PRMT6 (0.37) —

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-4392412-A1 ABAD INHIBITOR COMPOUNDS University Court of The University of St Andrews (GB) 2024-07-03 — — EP disclosed
WO-2023026060-A1 ABAD INHIBITOR COMPOUNDS UNIVERSITY COURT OF THE UNIVERSITY OF ST ANDREWS (GB) 2023-03-02 — — WO disclosed
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