SCHEMBL28521295

SCHEMBL28521295

Cc1c(O)c(=O)ccn1CCNCc1cc(=O)oc2cc(OCc3cc(F)cc(F)c3)ccc12

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 10/20 0.61
▸ CYP19A1 P11511 1/20 0.51
▸ CYP11B1 P15538 1/20 0.51
▸ CYP11B2 P19099 1/20 0.51

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
SCHEMBL28515254 0.94 MAOB (0.61) MAOBCYP19A1
SCHEMBL28509798 0.93 MAOB (0.62) MAOBCYP19A1CYP11B1CYP11B2
SCHEMBL28507799 0.90 MAOB (0.59) MAOB
SCHEMBL28907092 0.89 MAOB (0.60) MAOBCYP19A1CYP11B1CYP11B2
SCHEMBL28512434 0.89 MAOB (0.63) MAOB
SCHEMBL28906428 0.87 MAOB (0.57) MAOB
SCHEMBL28506771 0.87 MAOB (0.62) MAOB
SCHEMBL28519970 0.86 MAOB (0.58) MAOBCYP19A1CYP11B1CYP11B2
SCHEMBL28509796 0.85 MAOB (0.56) MAOBCYP19A1
SCHEMBL28528442 0.83 HSD17B3 (0.50) MAOBCYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109761964-B Coumarin-3-hydroxypyridine-4-one derivative, and preparation method and application thereof 浙江工业大学 2021-02-02 — — CN disclosed
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