SCHEMBL30285379

SCHEMBL30285379

CC(O)(c1ccccc1)c1cnc(-c2cccc(Oc3c(F)cc4[nH]ccc4c3S(C)(=O)=O)c2)[nH]1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ GRIN2D O15399 2/20 0.33
▸ GRIN3B O60391 2/20 0.33
▸ GRIN1 Q05586 2/20 0.33
▸ GRIN2A Q12879 2/20 0.33
▸ GRIN2B Q13224 2/20 0.33
▸ GRIN2C Q14957 2/20 0.33
▸ GRIN3A Q8TCU5 2/20 0.33
▸ SDHB P21912 1/20 0.33
▸ DGAT1 O75907 4/20 0.33
▸ NR1H3 Q13133 7/20 0.32
▸ NR1H2 P55055 7/20 0.32
▸ DHODH Q02127 1/20 0.32
▸ NPY5R Q15761 1/20 0.32
▸ BACE1 P56817 1/20 0.31
▸ BACE2 Q9Y5Z0 1/20 0.31
▸ BRD4 O60885 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
SCHEMBL29336566 1.00 KDM4E (0.35) KDM4ELMNAMAPTNPSR1GRIN2D
SCHEMBL30285460 0.90 NR1H2 (0.32) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29336640 0.90 NR1H2 (0.32) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29336645 0.88 NR1H2 (0.32) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30285436 0.88 NR1H2 (0.32) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29337131 0.88 GRIN2D (0.34) KDM4EGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL29336642 0.87 NR1H3 (0.34) KDM4ELMNAMAPTNPSR1GRIN2D
SCHEMBL30285294 0.87 NR1H3 (0.34) KDM4ELMNAMAPTNPSR1GRIN2D
SCHEMBL29336752 0.87 DGAT1 (0.35) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29336570 0.86 DGAT1 (0.34) KDM4EGRIN2DGRIN3BGRIN1GRIN2A

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
Send feedback