SCHEMBL13304223

SCHEMBL13304223

Cc1cc(C)cc(-c2c3ccc(-c4cccc5ccccc45)cc3c(-c3cccc4ccccc34)c3cc4c(cc23)-c2ccccc2[Si]4(C)C)c1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 1/20 0.32
▸ ACMSD Q8TDX5 1/20 0.32
▸ ENPP3 O14638 1/20 0.32
▸ ENPP1 P22413 1/20 0.32
▸ TLR8 Q9NR97 1/20 0.32
▸ DHFR P00374 1/20 0.31
▸ FLT3 P36888 1/20 0.31
▸ RORA P35398 1/20 0.30
▸ RORC P51449 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
SCHEMBL13303881 0.95 MCL1 (0.34) MCL1ACMSDENPP3ENPP1TLR8
SCHEMBL13304221 0.89 MCL1 (0.34) MCL1ACMSDENPP3ENPP1TLR8
SCHEMBL13304162 0.88 TLR8 (0.36) MCL1ACMSDENPP3ENPP1TLR8
SCHEMBL13304215 0.88 MCL1 (0.35) MCL1ACMSDENPP3ENPP1TLR8
SCHEMBL13345168 0.87 ENPP3 (0.36) MCL1ACMSDENPP3ENPP1DHFR
SCHEMBL13304230 0.87 PDK2 (0.32) —
SCHEMBL18904327 0.86 MCL1 (0.37) MCL1ACMSDENPP3ENPP1TLR8
SCHEMBL13345191 0.86 CA12 (0.39) MCL1ACMSDENPP3ENPP1
SCHEMBL13345065 0.86 MCL1 (0.35) MCL1ACMSDENPP3ENPP1TLR8
SCHEMBL18904329 0.86 ALDH1A1 (0.34) MCL1ACMSDENPP3ENPP1TLR8

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-2010064871-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME GRACEL DISPLAY INC. (KR) 2010-06-10 — — WO disclosed
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