SCHEMBL21747166

SCHEMBL21747166

CCOC(=O)NC(Cc1cn(C)c2ccccc12)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ADAM17 P78536 1/20 0.51
▸ KDM4E B2RXH2 5/20 0.50
▸ HSD17B10 Q99714 2/20 0.46
▸ HPGD P15428 1/20 0.46
▸ MMP9 P14780 1/20 0.46
▸ MMP8 P22894 1/20 0.46
▸ USP2 O75604 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ LMNA P02545 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ GPR84 Q9NQS5 1/20 0.43
▸ PTPN5 P54829 1/20 0.43

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
SCHEMBL18396076 1.00 ADAM17 (0.51) ADAM17KDM4EHSD17B10HPGDMMP9
SCHEMBL19339797 0.89 ADAM17 (0.53) ADAM17KDM4EHSD17B10HPGDMMP9
SCHEMBL2708537 0.89 ADAM17 (0.53) ADAM17KDM4EHSD17B10HPGDMMP9
SCHEMBL3643559 0.89 ADAM17 (0.50) ADAM17KDM4EHSD17B10HPGDMMP9
SCHEMBL8486002 0.89 ADAM17 (0.49) ADAM17KDM4EKMT2AMEN1
SCHEMBL9082551 0.89 ADAM17 (0.49) ADAM17KDM4EKMT2AMEN1
SCHEMBL23677867 0.88 ADAM17 (0.48) ADAM17KDM4EHSD17B10HPGDMMP9
SCHEMBL18395400 0.88 ADAM17 (0.48) ADAM17KDM4EHSD17B10HPGDMMP9
SCHEMBL5827687 0.86 ITGA4 (0.49) ADAM17KDM4EMMP9MMP8KMT2A
SCHEMBL5827689 0.86 ITGA4 (0.49) ADAM17KDM4EMMP9MMP8KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3613420-B1 SALTS AND PRODRUGS OF 1-METHYL-D-TRYPTOPHAN LUMOS PHARMA INC (US) 2022-05-25 — — EP disclosed
EP-3324958-B1 SALTS AND PRODRUGS OF 1-METHYL-D-TRYPTOPHAN LUMOS PHARMA INC (US) 2021-07-28 — — EP disclosed
EP-3613420-A1 SALTS AND PRODRUGS OF 1-METHYL-D-TRYPTOPHAN Newlink Genetics Corporation (US) 2020-02-26 — — EP disclosed
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