SCHEMBL30285398

SCHEMBL30285398

CC(O)(c1ccccc1)c1cnc(-c2cccc(Oc3c(F)cc4[nH]ccc4c3CO)c2)[nH]1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ DGAT1 O75907 9/20 0.33
▸ NR1H2 P55055 4/20 0.33
▸ NR1H3 Q13133 4/20 0.33
▸ GRIN2D O15399 1/20 0.33
▸ GRIN3B O60391 1/20 0.33
▸ GRIN1 Q05586 1/20 0.33
▸ GRIN2A Q12879 1/20 0.33
▸ GRIN2B Q13224 1/20 0.33
▸ GRIN2C Q14957 1/20 0.33
▸ GRIN3A Q8TCU5 1/20 0.33
▸ HRH1 P35367 1/20 0.32
▸ HRH4 Q9H3N8 1/20 0.32
▸ SCN2A Q99250 1/20 0.31

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
SCHEMBL29336572 1.00 SMN1; SMN2 (0.34) SMN1; SMN2DGAT1NR1H2NR1H3GRIN2D
SCHEMBL29337131 0.89 GRIN2D (0.34) DGAT1NR1H2NR1H3GRIN2DGRIN3B
SCHEMBL29336743 0.87 GRIN2D (0.33) DGAT1NR1H2NR1H3GRIN2DGRIN3B
SCHEMBL30285438 0.87 GRIN2D (0.33) DGAT1NR1H2NR1H3GRIN2DGRIN3B
SCHEMBL29336752 0.87 DGAT1 (0.35) DGAT1NR1H2NR1H3GRIN2DGRIN3B
SCHEMBL29336570 0.86 DGAT1 (0.34) DGAT1NR1H2NR1H3GRIN2DGRIN3B
SCHEMBL29336566 0.85 KDM4E (0.35) DGAT1NR1H2NR1H3GRIN2DGRIN3B
SCHEMBL29336575 0.85 CHEK2 (0.36) DGAT1NR1H2NR1H3GRIN2DGRIN3B
SCHEMBL29237763 0.85 NR1H2 (0.35) DGAT1NR1H2NR1H3HRH1HRH4
SCHEMBL30217055 0.85 NR1H2 (0.35) DGAT1NR1H2NR1H3HRH1HRH4

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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