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Sugi Predict / Compounds / SCHEMBL30178976

SCHEMBL30178976

SCHEMBL30178976

Oc1ccccc1-c1cc2c(nn1)[nH]c1ccc(C3CCN(C4CCNCC4)CC3)cc12

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TLR9 Q9NR96 19/20 0.42
▸ TLR7 Q9NYK1 17/20 0.42
▸ TLR8 Q9NR97 13/20 0.42
▸ SMARCA2 P51531 1/20 0.39
▸ SMARCA4 P51532 1/20 0.39
▸ PBRM1 Q86U86 1/20 0.39

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
SCHEMBL24837707 1.00 TLR9 (0.42) TLR9TLR7TLR8SMARCA2SMARCA4
SCHEMBL23606907 0.91 TLR9 (0.42) TLR9TLR7TLR8SMARCA2SMARCA4
SCHEMBL24838249 0.87 IRAK4 (0.40) TLR9TLR7TLR8
SCHEMBL24838251 0.84 TLR9 (0.40) TLR9TLR7TLR8
SCHEMBL30178642 0.84 TLR9 (0.36) TLR9TLR7TLR8
SCHEMBL25601652 0.84 TLR9 (0.36) TLR9TLR7TLR8
SCHEMBL30178612 0.82 TLR9 (0.38) TLR9TLR7TLR8
SCHEMBL25601650 0.82 TLR9 (0.38) TLR9TLR7TLR8
SCHEMBL23581053 0.79 SMARCA2 (0.51) TLR9TLR7TLR8SMARCA2SMARCA4
SCHEMBL30178608 0.75 TLR9 (0.34) TLR9TLR7TLR8SMARCA2SMARCA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023239645-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2023-12-14 — — WO disclosed
WO-2023278402-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2023-01-05 — — WO disclosed
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