SCHEMBL29935462

SCHEMBL29935462

C[Si](C)(C)c1ccc(Br)nc1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.34
CHRNA4 P43681 3/20 0.34
FDFT1 P37268 1/20 0.32
CYP11B1 P15538 1/20 0.32
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
CYP19A1 P11511 1/20 0.31
DGAT1 O75907 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
SCHEMBL196394 1.00 CHRNB2 (0.34) CHRNB2CHRNA4FDFT1CYP11B1NR1H2
SCHEMBL198353 0.78 NR1H2 (0.40) CHRNB2CHRNA4NR1H2NR1H3DGAT1
SCHEMBL18540404 0.76 NR1H2 (0.35) CHRNB2CHRNA4CYP11B1NR1H2NR1H3
SCHEMBL196453 0.76 ESR1 (0.50) CHRNB2CHRNA4NR1H2NR1H3
SCHEMBL196196 0.76 ESR1 (0.36) CHRNB2CHRNA4NR1H2NR1H3
SCHEMBL13429727 0.75 CHRNB2 (0.32) CHRNB2CHRNA4FDFT1
SCHEMBL195553 0.74 CCR1 (0.48) NR1H2NR1H3
SCHEMBL19658718 0.72 ADRA2A (0.39) NR1H2NR1H3
SCHEMBL22390159 0.72 NR1H2 (0.32) NR1H2NR1H3
SCHEMBL613760 0.71 NNMT (0.46)

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111683955-B Compound and organic light-emitting element comprising same 株式会社LG化学 2023-12-08 CN disclosed
CN-117164639-A Organometallic compound, organic light-emitting device including the same, and electronic apparatus including the organic light-emitting device 三星电子株式会社 2023-12-05 CN disclosed
CN-110483583-B Organometallic compound and organic light emitting device including the same 三星电子株式会社 2023-05-26 CN disclosed
CN-115073529-A Organometallic compound, organic light emitting device including the same, and electronic apparatus including the organic light emitting device 三星电子株式会社 2022-09-20 CN disclosed