SCHEMBL28812467

SCHEMBL28812467

O=COCc1cc2ccccc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.53
CYP2A6 P11509 1/20 0.49
OPRK1 P41145 1/20 0.46
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
HRH3 Q9Y5N1 1/20 0.43
AHR P35869 1/20 0.43
NLRP3 Q96P20 1/20 0.43
HRH4 Q9H3N8 1/20 0.42
HDAC8 Q9BY41 3/20 0.41
HDAC3 O15379 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41

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
SCHEMBL27488329 0.83 LOXL2 (0.50) LOXL2CYP2A6MTNR1AMTNR1BHRH3
SCHEMBL4384511 0.77 LOXL2 (0.63) LOXL2OPRK1MTNR1AMTNR1BHRH3
SCHEMBL28886053 0.77 LOXL2 (0.58) LOXL2OPRK1MTNR1AMTNR1BHRH3
SCHEMBL2111019 0.77 LOXL2 (0.58) LOXL2OPRK1MTNR1AMTNR1BHRH3
SCHEMBL108898 0.77 LOXL2 (0.58) LOXL2CYP2A6OPRK1MTNR1AMTNR1B
SCHEMBL29796415 0.77 LOXL2 (0.58) LOXL2CYP2A6OPRK1MTNR1AMTNR1B
SCHEMBL15662691 0.77 LOXL2 (0.58) LOXL2OPRK1MTNR1AMTNR1BHRH3
SCHEMBL6715530 0.76 LOXL2 (0.53) LOXL2CYP2A6OPRK1MTNR1AMTNR1B
SCHEMBL4280580 0.75 LOXL2 (0.56) LOXL2OPRK1MTNR1AMTNR1BHRH3
SCHEMBL27487578 0.74 LOXL2 (0.47) LOXL2CYP2A6MTNR1AMTNR1BHRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116874406-A Indolyl sulfonamide compound and preparation method and application thereof 山东大学 2023-10-13 CN claimed
CN-114907344-B Beta-carboline-1-propionic acid and indole derivatives, and preparation method and application thereof 山东大学 2023-06-30 CN claimed
CN-114907344-A Beta-carboline-1-propionic acid and indole derivatives, and preparation method and application thereof 山东大学 2022-08-16 CN claimed
CN-116874406-A Indolyl sulfonamide compound and preparation method and application thereof 山东大学 2023-10-13 CN disclosed
CN-114907344-B Beta-carboline-1-propionic acid and indole derivatives, and preparation method and application thereof 山东大学 2023-06-30 CN disclosed