SCHEMBL31746135

SCHEMBL31746135

Brc1ccc2ccc3c(N4c5ccccc5Sc5ccccc54)ccc4ccc1c2c43

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.37
▸ BCHE P06276 10/20 0.35
▸ ACHE P22303 3/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ HPGD P15428 1/20 0.33
▸ NOX1 Q9Y5S8 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ ADRA2A P08913 1/20 0.33
▸ ADRA2B P18089 1/20 0.33
▸ ADRA2C P18825 1/20 0.33
▸ CHRM3 P20309 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.31

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
SCHEMBL29435145 0.75 BCHE (0.36) MAOABCHEACHEHDAC6NOX1
SCHEMBL29435141 0.75 BCHE (0.36) MAOABCHEACHEHDAC6NOX1
SCHEMBL28642327 0.75 BCHE (0.36) MAOABCHEACHEHDAC6NOX1
SCHEMBL20444741 0.74 MAOA (0.41) MAOABCHEACHEHDAC6SLC6A3
SCHEMBL21324171 0.73 ALDH1A1 (0.36) MAOABCHEACHESLC6A3HPGD
SCHEMBL21514554 0.73 ALDH1A1 (0.36) MAOABCHEACHESLC6A3HPGD
SCHEMBL29988246 0.73 MGLL (0.50) MAOABCHEACHEHDAC6SLC6A3
SCHEMBL14550947 0.73 MGLL (0.50) MAOABCHEACHEHDAC6SLC6A3
SCHEMBL14262591 0.71 BCHE (0.37) MAOABCHEACHESLC6A3HPGD
SCHEMBL1062422 0.70 CYP1A2 (0.39) MAOAACHEHPGDKMT2AMEN1

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-121181494-B Pyrenyl derivative and preparation method and application thereof 山东理工大学 2026-01-30 — — CN disclosed
CN-121181494-A Pyrenyl derivative and preparation method and application thereof 山东理工大学 2025-12-23 — — CN disclosed
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