SCHEMBL30285554

SCHEMBL30285554

CNS(=O)(=O)c1c(Oc2ccc(F)c(C#N)c2)c(F)cc2[nH]ccc12

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SLC22A12 Q96S37 8/20 0.38
▸ EPAS1 Q99814 4/20 0.35
▸ DRD1 P21728 2/20 0.35
▸ TNNI3K Q59H18 2/20 0.33
▸ VEGFA P15692 1/20 0.33
▸ PRKCQ Q04759 2/20 0.32
▸ BRD4 O60885 1/20 0.32

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
SCHEMBL29338274 1.00 SLC22A12 (0.38) SLC22A12EPAS1DRD1TNNI3KVEGFA
SCHEMBL30967799 0.89 EPAS1 (0.41) SLC22A12EPAS1DRD1VEGFAPRKCQ
SCHEMBL29237584 0.89 EPAS1 (0.41) SLC22A12EPAS1DRD1VEGFAPRKCQ
SCHEMBL29336696 0.87 EPAS1 (0.38) SLC22A12EPAS1DRD1VEGFAPRKCQ
SCHEMBL27275534 0.80 DRD1 (0.41) EPAS1DRD1PRKCQ
SCHEMBL30938241 0.80 DRD1 (0.41) EPAS1DRD1PRKCQ
SCHEMBL27382323 0.80 DRD1 (0.40) SLC22A12EPAS1DRD1VEGFAPRKCQ
SCHEMBL29336799 0.80 TNNI3K (0.34) TNNI3K
SCHEMBL31108580 0.80 PRKCQ (0.36) SLC22A12EPAS1DRD1VEGFAPRKCQ
SCHEMBL27266377 0.80 PRKCQ (0.36) SLC22A12EPAS1DRD1VEGFAPRKCQ

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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