SCHEMBL21868101

SCHEMBL21868101

CC1(C)c2ccccc2C2(c3ccccc3-c3ccccc32)c2ccc(-c3cccc(C(=N)/C=C\C(=N)c4ccccc4)c3)cc21

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 13/20 0.40
▸ PRSS1 P07477 1/20 0.35
▸ PRSS2 P07478 1/20 0.35
▸ PRSS3 P35030 1/20 0.35
▸ PGR P06401 1/20 0.34
▸ RARB P10826 2/20 0.33
▸ RARG P13631 2/20 0.33
▸ RARA P10276 1/20 0.33
▸ RXRA P19793 1/20 0.33
▸ KMO O15229 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
SCHEMBL21868695 0.93 PDK2 (0.43) PDK2PRSS1PRSS2PRSS3KMO
SCHEMBL24293448 0.87 PRSS1 (0.33) PDK2PRSS1PRSS2PRSS3PGR
SCHEMBL21868061 0.86 PDK2 (0.34) PDK2RARBRARGRXRA
SCHEMBL24905104 0.85 PDK2 (0.41) PDK2PRSS1PRSS2PRSS3RARB
SCHEMBL19298696 0.81 PDK2 (0.37) PDK2PRSS1PRSS2PRSS3
SCHEMBL22841654 0.81 PDK2 (0.39) PDK2PRSS1PRSS2PRSS3
SCHEMBL21868271 0.81 PDK2 (0.41) PDK2
SCHEMBL21867573 0.79 — —
SCHEMBL20619213 0.78 PDK2 (0.34) PDK2PRSS1PRSS2PRSS3
SCHEMBL20619790 0.78 PDK2 (0.36) PDK2PRSS1PRSS2PRSS3

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-2020067823-A1 ORGANIC ELECTROLUMINESCENT ELEMENT 주식회사 엘지화학 2020-04-02 — — WO disclosed
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