SCHEMBL19505986

SCHEMBL19505986

COC(=O)[C@@H]1CC=CN1C(=O)c1c(O)cccc1OCOCC[Si](C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 4/20 0.31
▸ KMT2A Q03164 1/20 0.30
▸ NFKB1 P19838 1/20 0.30
▸ NFKB2 Q00653 1/20 0.30
▸ RELA Q04206 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ MDM2 Q00987 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
SCHEMBL19475762 0.91 NFKB1 (0.33) PTPN1NFKB1NFKB2RELA
SCHEMBL19475763 0.91 NFKB1 (0.33) PTPN1NFKB1NFKB2RELA
SCHEMBL19505791 0.86 NPSR1 (0.36) KMT2A
SCHEMBL19474997 0.84 L3MBTL1 (0.31) —
SCHEMBL19474996 0.84 L3MBTL1 (0.31) —
SCHEMBL19475399 0.83 SMN1; SMN2 (0.37) —
SCHEMBL19475397 0.83 SMN1; SMN2 (0.37) —
SCHEMBL19505788 0.81 L3MBTL1 (0.36) KMT2A
SCHEMBL19506112 0.81 MMP2 (0.35) PTPN1
SCHEMBL19505807 0.80 — —

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-2017184558-A1 NOVEL PROMYSALIN ANALOGUES AND METHODS OF USE THEREOF TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2017-10-26 — — WO disclosed
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