SCHEMBL21546134

SCHEMBL21546134

[N-]=[N+]=NC(COc1cccc(C(=N)N)c1)OCCOCC=O

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PRSS1 P07477 9/20 0.44
▸ F2 P00734 6/20 0.42
▸ PLG P00747 1/20 0.42
▸ PRSS2 P07478 1/20 0.42
▸ C1S P09871 1/20 0.42
▸ PRSS3 P35030 1/20 0.42
▸ F10 P00742 4/20 0.40

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
SCHEMBL21546137 0.91 PARP1 (0.36) PRSS1F10
SCHEMBL24199561 0.85 F10 (0.40) F10
SCHEMBL24370868 0.84 SMN1; SMN2 (0.40) —
SCHEMBL21872519 0.83 MAOA (0.39) —
SCHEMBL19455859 0.82 KMT2A (0.38) —
SCHEMBL21575565 0.80 KMT2A (0.43) PRSS1
SCHEMBL14611470 0.78 PARP1 (0.37) PRSS1F2PLGPRSS2C1S
SCHEMBL21546124 0.77 KMT2A (0.37) PRSS1F2PLGPRSS2C1S
SCHEMBL19275854 0.76 KMT2A (0.46) —
SCHEMBL29530487 0.74 THRA (0.36) F10

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
EP-3564387-A1 SINGLE FLUORESCENT DYE BASED SEQUENCING METHOD BGI Shenzhen (CN) 2019-11-06 — — EP disclosed
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