SCHEMBL26184441

SCHEMBL26184441

C=C/C(=C\C=C/C)N(c1ccccc1)c1ccc2c(c1)C1(c3cc(N(c4ccccc4)c4ccccc4)ccc3-2)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 1/20 0.32

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
SCHEMBL13849921 0.92 PDK2 (0.31) PDK2
SCHEMBL15618082 0.83 PDK2 (0.33) PDK2
SCHEMBL19466009 0.82 TP53 (0.33) —
SCHEMBL25733612 0.82 ALDH1A1 (0.35) —
SCHEMBL20814556 0.80 TRPM8 (0.38) —
SCHEMBL18400777 0.80 NPSR1 (0.36) —
SCHEMBL23393456 0.80 HSD17B1 (0.33) —
SCHEMBL13271324 0.79 RELA (0.38) —
SCHEMBL15618077 0.79 PDK2 (0.34) PDK2
SCHEMBL21926598 0.78 — —

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-3807367-B1 FORMULATION OF AN ORGANIC FUNCTIONAL MATERIAL MERCK PATENT GMBH (DE) 2023-07-19 — — EP disclosed
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