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Sugi Predict / Compounds / SCHEMBL25919620

SCHEMBL25919620

SCHEMBL25919620

CC1(C)OB(c2ncc(/C(N)=N/O)s2)OC1(C)C

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ F11 P03951 2/20 0.35
▸ F2 P00734 1/20 0.32
▸ PRSS1 P07477 1/20 0.32
▸ PRSS2 P07478 1/20 0.32
▸ PRSS3 P35030 1/20 0.32
▸ LPL P06858 1/20 0.31
▸ LIPG Q9Y5X9 1/20 0.31
▸ USP30 Q70CQ3 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
SCHEMBL25919603 0.73 F11 (0.40) F11F2PRSS1PRSS2PRSS3
SCHEMBL25199762 0.71 NOS1 (0.38) LPLLIPGUSP30
SCHEMBL25919482 0.70 F11 (0.37) F11F2PRSS1PRSS2PRSS3
SCHEMBL25919474 0.68 F11 (0.38) F11F2PRSS1PRSS2PRSS3
SCHEMBL25919471 0.68 F11 (0.48) F11F2PRSS1PRSS2PRSS3
SCHEMBL2033207 0.67 NOS1 (0.40) —
SCHEMBL12580732 0.67 NOS1 (0.40) —
SCHEMBL25318064 0.65 F11 (0.55) F11F2PRSS1PRSS2PRSS3
SCHEMBL25318058 0.65 F11 (0.55) F11F2PRSS1PRSS2PRSS3
SCHEMBL25919607 0.64 F11 (0.40) F11F2PRSS1PRSS2PRSS3

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-2023141114-A2 SYNTHESIS OF BORON-CONTAINING AMIDOXIME REAGENTS AND THEIR APPLICATION TO SYNTHESIZE FUNCTIONALIZED OXADIAZOLE AND QUINAZOLINONE DERIVATIVES LONG ISLAND UNIVERSITY (US) 2023-07-27 — — WO disclosed