SCHEMBL28444530

SCHEMBL28444530

Cc1cc(=O)oc2cc(OCc3ccc(Br)cc3)ccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 14/20 1.00
MAOA P21397 7/20 1.00
AR P10275 2/20 1.00
ACHE P22303 8/20 0.80
NPC1 O15118 3/20 0.79
RAB9A P51151 3/20 0.79
CASP3 P42574 2/20 0.79
SENP8 Q96LD8 2/20 0.79
SENP7 Q9BQF6 2/20 0.79
SENP6 Q9GZR1 2/20 0.79
MEN1 O00255 2/20 0.79
KMT2A Q03164 2/20 0.79
TDP1 Q9NUW8 1/20 0.77
CA12 O43570 1/20 0.71
CA1 P00915 1/20 0.71
CA2 P00918 1/20 0.71
CA4 P22748 1/20 0.71
CA5A P35218 1/20 0.71
CA7 P43166 1/20 0.71
CA5B Q9Y2D0 1/20 0.71

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
SCHEMBL29724368 1.00 MAOB (1.00) MAOBMAOAARACHENPC1
SCHEMBL16334580 0.90 NPC1 (0.83) MAOBMAOAARACHENPC1
SCHEMBL16334329 0.88 NPC1 (1.00) MAOBMAOAARACHENPC1
SCHEMBL16334352 0.87 NPC1 (0.79) MAOBMAOAARACHENPC1
SCHEMBL16580069 0.87 NPC1 (0.79) MAOBMAOAARACHENPC1
SCHEMBL16334073 0.87 MAOB (0.80) MAOBMAOAARACHENPC1
SCHEMBL107774 0.87 MAOB (1.00) MAOBMAOAARACHENPC1
SCHEMBL29382160 0.87 MAOB (1.00) MAOBMAOAARACHENPC1
SCHEMBL19754928 0.86 MAOB (0.74) MAOBMAOAARACHENPC1
SCHEMBL5617810 0.85 NPC1 (0.76) MAOBMAOAARACHENPC1

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
CN-111533721-B Benzopyrone or quinolinone compounds and application thereof 浙江大学 2022-04-26 CN disclosed
CN-111533721-A Benzopyrone or quinolinone compounds and application thereof 浙江大学 2020-08-14 CN disclosed