SCHEMBL30217316

SCHEMBL30217316

COC(=O)CCc1cccc(C(O)c2cnc(-c3cccc(Oc4c(F)cc5[nH]ccc5c4-c4nccs4)c3)[nH]2)c1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ADORA2B P29275 7/20 0.34
▸ ADORA1 P30542 7/20 0.34
▸ ADORA2A P29274 4/20 0.34
▸ CTSA P10619 4/20 0.32
▸ FFAR1 O14842 1/20 0.32
▸ DNMT3B Q9UBC3 1/20 0.30
▸ BACE1 P56817 1/20 0.30
▸ BACE2 Q9Y5Z0 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
SCHEMBL30217201 0.94 FFAR1 (0.39) ADORA2BADORA1ADORA2ACTSAFFAR1
SCHEMBL30217199 0.89 CDK8 (0.33) DNMT3BBACE1BACE2
SCHEMBL30217105 0.89 CYP4F2 (0.34) —
SCHEMBL30217154 0.88 CNR2 (0.33) DNMT3BBACE1BACE2
SCHEMBL30217364 0.81 CDK8 (0.32) DNMT3BBACE1BACE2
SCHEMBL30217228 0.81 CYP4F2 (0.42) —
SCHEMBL30217117 0.79 CDK8 (0.32) DNMT3BBACE1BACE2
SCHEMBL30217178 0.79 BRD4 (0.33) DNMT3BBACE1BACE2
SCHEMBL30217248 0.79 FFAR1 (0.31) FFAR1
SCHEMBL30217314 0.78 BACE1 (0.32) DNMT3BBACE1BACE2

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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