Sugi Predict

Sugi Predict / Compounds / SCHEMBL30217219

SCHEMBL30217219

SCHEMBL30217219

COC(=O)CCc1cccc(C(C)c2cnc(-c3cc(Oc4c(F)cc5[nH]ccc5c4C)ccc3F)[nH]2)c1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 1/20 0.32
▸ CNR1 P21554 2/20 0.31
▸ CNR2 P34972 2/20 0.31
▸ CDK8 P49336 1/20 0.30
▸ HAT1 O14929 2/20 0.30
▸ EP300 Q09472 2/20 0.30
▸ BRD4 O60885 1/20 0.30
▸ BRD2 P25440 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
SCHEMBL29237809 1.00 FFAR1 (0.32) FFAR1CNR1CNR2CDK8HAT1
SCHEMBL29237742 0.93 FFAR1 (0.37) FFAR1HAT1EP300
SCHEMBL30217008 0.93 FFAR1 (0.37) FFAR1HAT1EP300
SCHEMBL31108587 0.86 FFAR1 (0.38) FFAR1HAT1EP300
SCHEMBL30217224 0.85 FFAR1 (0.32) FFAR1
SCHEMBL29237349 0.85 FFAR1 (0.32) FFAR1
SCHEMBL30217248 0.84 FFAR1 (0.31) FFAR1
SCHEMBL29237663 0.83 FFAR1 (0.32) FFAR1CNR1CNR2CDK8BRD4
SCHEMBL30216978 0.83 FFAR1 (0.32) FFAR1CNR1CNR2CDK8BRD4
SCHEMBL31108497 0.83 FFAR1 (0.36) FFAR1CNR1CNR2

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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