SCHEMBL30217364

SCHEMBL30217364

CNC(c1cccc(CCC(=O)OC)c1)c1cnc(-c2cccc(Oc3c(F)cc4[nH]ccc4c3F)c2)[nH]1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CDK8 P49336 5/20 0.32
▸ DNMT3B Q9UBC3 1/20 0.31
▸ BACE1 P56817 1/20 0.31
▸ BACE2 Q9Y5Z0 1/20 0.31
▸ VDR P11473 1/20 0.31
▸ PPARD Q03181 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ CNR2 P34972 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
SCHEMBL30217297 0.94 FFAR4 (0.34) CDK8BACE1BACE2
SCHEMBL30217199 0.92 CDK8 (0.33) CDK8DNMT3BBACE1BACE2VDR
SCHEMBL30217154 0.85 CNR2 (0.33) CDK8DNMT3BBACE1BACE2VDR
SCHEMBL29237550 0.83 DGAT2 (0.34) CDK8DNMT3BVDRPPARDKDM4E
SCHEMBL30216993 0.83 DGAT2 (0.34) CDK8DNMT3BVDRPPARDKDM4E
SCHEMBL30967875 0.83 DGAT2 (0.34) CDK8DNMT3BVDRPPARDKDM4E
SCHEMBL29237349 0.83 FFAR1 (0.32) —
SCHEMBL30217224 0.83 FFAR1 (0.32) —
SCHEMBL30217316 0.81 ADORA2B (0.34) DNMT3BBACE1BACE2
SCHEMBL30217105 0.81 CYP4F2 (0.34) —

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
EP-4396179-A1 INDOLE COMPOUNDS AND METHODS OF USE GENZYME CORPORATION (US) 2024-07-10 — — EP disclosed
WO-2023034992-A1 INDOLE COMPOUNDS AND METHODS OF USE GENZYME CORPORATION (US) 2023-03-09 — — WO disclosed
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