SCHEMBL21868420

SCHEMBL21868420

CC1(C)c2ccccc2C2(c3ccccc3Sc3ccccc32)c2cc(-c3ccc(C(=N)/C=C\C(=N)c4ccccc4)cc3)ccc21

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 3/20 0.33
▸ RARG P13631 2/20 0.33
▸ RARA P10276 2/20 0.33
▸ RXRA P19793 2/20 0.32
▸ RXRB P28702 1/20 0.30
▸ RXRG P48443 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
SCHEMBL21867938 0.87 MEN1 (0.32) —
SCHEMBL24139121 0.83 MEN1 (0.31) —
SCHEMBL21867585 0.81 RARB (0.33) RARBRARGRARARXRARXRB
SCHEMBL24138609 0.81 PRSS1 (0.35) RARBRARGRARA
SCHEMBL24139060 0.81 PRSS1 (0.35) RARBRARGRARA
SCHEMBL24905104 0.81 PDK2 (0.41) RARBRARGRXRA
SCHEMBL24138584 0.80 MAPT (0.33) RARBRARGRARARXRA
SCHEMBL21867573 0.78 — —
SCHEMBL21868061 0.78 PDK2 (0.34) RARBRARGRXRA
SCHEMBL21868101 0.78 PDK2 (0.40) RARBRARGRARARXRA

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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