SCHEMBL30217055

SCHEMBL30217055

CC(O)(c1cccc(CO)c1)c1cnc(-c2cccc(Oc3c(F)cc4[nH]ccc4c3F)c2)[nH]1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 7/20 0.35
▸ NR1H3 Q13133 7/20 0.35
▸ DGAT1 O75907 3/20 0.31
▸ CDK8 P49336 1/20 0.31
▸ HRH1 P35367 1/20 0.31
▸ HRH4 Q9H3N8 1/20 0.31
▸ FYN P06241 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
SCHEMBL29237763 1.00 NR1H2 (0.35) NR1H2NR1H3DGAT1CDK8HRH1
SCHEMBL29237738 0.90 NR1H2 (0.30) NR1H2NR1H3
SCHEMBL29237626 0.90 NR1H2 (0.30) NR1H2NR1H3DGAT1HRH1HRH4
SCHEMBL30217011 0.90 NR1H2 (0.30) NR1H2NR1H3
SCHEMBL30217171 0.90 NR1H2 (0.30) NR1H2NR1H3DGAT1HRH1HRH4
SCHEMBL30217259 0.87 BRAF (0.33) DGAT1
SCHEMBL29237524 0.87 ALDH1A1 (0.33) DGAT1CDK8
SCHEMBL30217061 0.87 ALDH1A1 (0.33) DGAT1CDK8
SCHEMBL30967813 0.86 NR1H2 (0.30) NR1H2NR1H3DGAT1
SCHEMBL30285398 0.85 SMN1; SMN2 (0.34) NR1H2NR1H3DGAT1HRH1HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4396179-A1 INDOLE COMPOUNDS AND METHODS OF USE GENZYME CORPORATION (US) 2024-07-10 — — EP disclosed
CN-118201919-A Indole compounds and methods of use 健赞公司 2024-06-14 — — CN disclosed
WO-2023034992-A1 INDOLE COMPOUNDS AND METHODS OF USE GENZYME CORPORATION (US) 2023-03-09 — — WO disclosed
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