SCHEMBL27294099

SCHEMBL27294099

O=C(O)c1cc(I)c(OC(=O)C23CC4CC(CC(OC(=O)C(F)(F)F)(C4)C2)C3)c(I)c1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.33
▸ SCN9A Q15858 1/20 0.32
▸ TPMT P51580 1/20 0.32
▸ GAA P10253 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ XBP1 P17861 1/20 0.31

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
SCHEMBL27294243 0.87 KDM4E (0.31) KDM4ESCN9A
SCHEMBL27294100 0.86 SMN1; SMN2 (0.31) KDM4E
SCHEMBL27293882 0.81 USP2 (0.36) SCN9A
SCHEMBL27294102 0.80 ALDH1A1 (0.36) KDM4EMAPT
SCHEMBL27293427 0.79 KDM4E (0.45) KDM4ESCN9AGAAMAPTXBP1
SCHEMBL23518983 0.77 GAA (0.32) KDM4EGAAMAPTXBP1
SCHEMBL19985161 0.71 KMT2A (0.39) KDM4EGAAMAPTXBP1
SCHEMBL27293888 0.69 KDM4E (0.35) KDM4EMAPT
SCHEMBL12334017 0.69 NPSR1 (0.47) —
SCHEMBL19683957 0.68 KDM4E (0.31) KDM4E

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-2024127977-A1 RESIST COMPOSITION, RESIST PATTERN FORMATION METHOD, COMPOUND, AND ACID DIFFUSION CONTROL AGENT 東京応化工業株式会社 2024-06-20 — — WO disclosed
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