SCHEMBL30285454

SCHEMBL30285454

CS(=O)(=O)c1c(Oc2ccc(F)c(-c3ncc(C(O)c4ccccc4)[nH]3)c2)c(F)cc2[nH]ccc12

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.32
▸ GCK P35557 1/20 0.30
▸ PTGS2 P35354 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
SCHEMBL29336940 1.00 BRD4 (0.32) BRD4GCKPTGS2
SCHEMBL29336583 0.90 BACE1 (0.37) BRD4GCKPTGS2
SCHEMBL30285449 0.90 BACE1 (0.37) BRD4GCKPTGS2
SCHEMBL29336943 0.88 DRD1 (0.32) —
SCHEMBL30285675 0.86 — —
SCHEMBL29336939 0.86 — —
SCHEMBL30285506 0.81 BACE1 (0.36) BRD4
SCHEMBL29336584 0.81 BACE1 (0.36) BRD4
SCHEMBL30217137 0.80 — —
SCHEMBL30217167 0.80 DRD1 (0.30) —

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-4396176-A1 INDOLE COMPOUNDS AND USES THEREOF IN THE TREATEMENT OF CYSTIC FIBROSIS GENZYME CORPORATION (US) 2024-07-10 — — EP disclosed
WO-2023034946-A1 INDOLE COMPOUNDS AND USES THEREOF IN THE TREATEMENT OF CYSTIC FIBROSIS GENZYME CORPORATION (US) 2023-03-09 — — WO disclosed
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