SCHEMBL27147399

SCHEMBL27147399

CC(C)(C)OC(=O)N1CC(C[N+](=O)[O-])(NC(=O)OCc2ccccc2)C1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 8/20 0.41
▸ SYK P43405 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ BACE1 P56817 1/20 0.40
▸ STS P08842 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ TLR9 Q9NR96 1/20 0.38
▸ TLR7 Q9NYK1 1/20 0.38

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
SCHEMBL27147067 0.92 P2RX7 (0.41) P2RX7SYKMEN1KMT2ABACE1
SCHEMBL17608882 0.90 P2RX7 (0.44) P2RX7MEN1KMT2ABACE1STS
SCHEMBL28865052 0.86 SYK (0.44) P2RX7SYKMEN1KMT2ABACE1
SCHEMBL26090865 0.85 SYK (0.43) P2RX7SYKMEN1KMT2ABACE1
SCHEMBL23390522 0.82 STS (0.43) P2RX7SYKMEN1KMT2ABACE1
SCHEMBL22041814 0.81 CTSB (0.48) P2RX7SYKMEN1KMT2ABACE1
SCHEMBL24940830 0.80 MEN1 (0.43) P2RX7SYKMEN1KMT2ABACE1
SCHEMBL30681417 0.80 P2RX7 (0.41) P2RX7SYKMEN1KMT2ABACE1
SCHEMBL26090864 0.80 HTT (0.47) P2RX7SYKMEN1KMT2ABACE1
SCHEMBL30732662 0.80 MEN1 (0.42) P2RX7SYKMEN1KMT2ABACE1

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-2024044731-A1 DIAZEPINO-THIENO-QUINOXALINE COMPOUNDS AND THEIR USE IN THERAPY MATCHPOINT THERAPEUTICS INC. (US) 2024-02-29 — — WO disclosed
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