SCHEMBL28507799

SCHEMBL28507799

Cc1c(O)c(=O)ccn1CCNCc1cc(=O)oc2cc(OCc3ccccc3)ccc12

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 4/20 0.59
▸ NPC1 O15118 1/20 0.52
▸ MAOA P21397 1/20 0.52
▸ CASP3 P42574 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ SENP8 Q96LD8 1/20 0.52
▸ SENP7 Q9BQF6 1/20 0.52
▸ SENP6 Q9GZR1 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52

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
SCHEMBL28907092 0.93 MAOB (0.60) MAOBNPC1CASP3RAB9ASENP8
SCHEMBL28515254 0.92 MAOB (0.61) MAOB
SCHEMBL28509798 0.91 MAOB (0.62) MAOB
SCHEMBL28506771 0.91 MAOB (0.62) MAOBMAOA
SCHEMBL28521295 0.90 MAOB (0.61) MAOB
SCHEMBL28906428 0.89 MAOB (0.57) MAOB
SCHEMBL28519970 0.87 MAOB (0.58) MAOB
SCHEMBL28509796 0.87 MAOB (0.56) MAOB
SCHEMBL28515760 0.86 MAOB (0.59) MAOB
SCHEMBL28528442 0.85 HSD17B3 (0.50) MAOBNPC1TDP1

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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