SCHEMBL24905104

SCHEMBL24905104

N=C(/C=C\C(=N)c1ccc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2C32c3ccccc3-c3ccccc32)cc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 18/20 0.41
▸ PRSS1 P07477 1/20 0.34
▸ PRSS2 P07478 1/20 0.34
▸ PRSS3 P35030 1/20 0.34
▸ RARB P10826 1/20 0.34
▸ RARG P13631 1/20 0.34
▸ RXRA P19793 1/20 0.34

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
SCHEMBL21868695 0.92 PDK2 (0.43) PDK2PRSS1PRSS2PRSS3
SCHEMBL21868271 0.87 PDK2 (0.41) PDK2
SCHEMBL21868061 0.85 PDK2 (0.34) PDK2RARBRARGRXRA
SCHEMBL20619071 0.85 PDK2 (0.37) PDK2PRSS1PRSS2PRSS3
SCHEMBL21868101 0.85 PDK2 (0.40) PDK2PRSS1PRSS2PRSS3RARB
SCHEMBL21868705 0.83 PDK2 (0.41) PDK2PRSS1PRSS2PRSS3RARB
SCHEMBL20619211 0.82 PDK2 (0.34) PDK2PRSS1PRSS2PRSS3RARB
SCHEMBL22841481 0.82 PDK2 (0.36) PDK2PRSS1PRSS2PRSS3RARB
SCHEMBL21868420 0.81 RARB (0.33) RARBRARGRXRA
SCHEMBL17117659 0.78 PDK2 (0.40) PDK2

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
US-20230024114-A1 ORGANIC LIGHT-EMITTING DEVICE LG CHEM, LTD. (KR) 2023-01-26 — — US disclosed
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