SCHEMBL28820816

SCHEMBL28820816

CN1c2ccccc2SC1/C=C\c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 1/20 0.39
▸ MAOA P21397 3/20 0.36
▸ KDM1A O60341 2/20 0.36
▸ MAOB P27338 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HTT P42858 1/20 0.33

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
SCHEMBL28820660 1.00 BCHE (0.39) BCHEMAOAKDM1AMAOBKDM4E
SCHEMBL29815035 0.88 NFE2L2 (0.41) MAOAMAOBKDM4EMAPT
SCHEMBL29814945 0.88 ALOX5 (0.34) MAOAKDM4ELMNAMAPT
SCHEMBL29815022 0.88 CYP19A1 (0.41) MAOAKDM1AMAOBMAPT
SCHEMBL29815013 0.88 APP (0.35) BCHEMAPT
SCHEMBL29814949 0.88 ERBB2 (0.37) BCHEMAOAMAOBKDM4ELMNA
SCHEMBL31231848 0.85 APP (0.40) MAOA
SCHEMBL21300106 0.85 RELA (0.46) MAPT
SCHEMBL29815142 0.85 MAOA (0.31) MAOA
SCHEMBL31151816 0.84 MAOA (0.39) BCHEMAOAKDM1APOLBMAPT

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-114907514-A Multifunctional fiber and preparation method and application thereof 北京洁尔爽高科技有限公司 2022-08-16 — — CN disclosed
Send feedback