SCHEMBL29237441

SCHEMBL29237441

COC(=O)CCc1cccc(Cc2cnc(-c3cc(Oc4c(F)cc5[nH]ccc5c4SC)ccc3F)[nH]2)c1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 2/20 0.33
▸ CNR1 P21554 3/20 0.31
▸ CNR2 P34972 3/20 0.31
▸ CDK8 P49336 1/20 0.31
▸ TLR7 Q9NYK1 1/20 0.31
▸ P2RX3 P56373 1/20 0.30
▸ GSK3B P49841 1/20 0.30
▸ MAPK14 Q16539 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
SCHEMBL30967940 1.00 FFAR1 (0.33) FFAR1CNR1CNR2CDK8TLR7
SCHEMBL30217056 1.00 FFAR1 (0.33) FFAR1CNR1CNR2CDK8TLR7
SCHEMBL29237454 0.89 FFAR1 (0.34) FFAR1CNR1CNR2CDK8TLR7
SCHEMBL30217088 0.89 FFAR1 (0.34) FFAR1CNR1CNR2CDK8TLR7
SCHEMBL29237209 0.89 FFAR1 (0.33) FFAR1CNR1CNR2CDK8TLR7
SCHEMBL30217221 0.89 FFAR1 (0.33) FFAR1CNR1CNR2CDK8TLR7
SCHEMBL30217296 0.89 FFAR1 (0.33) FFAR1CNR1CNR2CDK8TLR7
SCHEMBL30967953 0.88 FFAR1 (0.32) FFAR1
SCHEMBL30217298 0.88 FFAR1 (0.32) FFAR1
SCHEMBL30967901 0.88 FFAR1 (0.32) FFAR1CNR1CNR2CDK8TLR7

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
CN-118201919-A Indole compounds and methods of use 健赞公司 2024-06-14 — — CN disclosed
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