SCHEMBL10776599

SCHEMBL10776599

CN1c2ccccc2SC1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ KDM1A O60341 2/20 0.34
▸ NOX1 Q9Y5S8 2/20 0.33
▸ ADRA2A P08913 2/20 0.33
▸ ADRA2B P18089 2/20 0.33
▸ ADRA2C P18825 2/20 0.33
▸ CHRM3 P20309 2/20 0.33
▸ SLC6A2 P23975 2/20 0.33
▸ HTR2C P28335 2/20 0.33
▸ SLC6A4 P31645 2/20 0.33
▸ DRD3 P35462 2/20 0.33
▸ HTR2B P41595 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ GPR3 P46089 1/20 0.33
▸ BCHE P06276 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
SCHEMBL4580436 0.79 MAOA (0.43) MAOAALDH1A1SMN1; SMN2GSK3BKDM1A
SCHEMBL1156077 0.79 MAOA (0.43) MAOAALDH1A1SMN1; SMN2GSK3BKDM1A
SCHEMBL12264201 0.78 MAOA (0.46) MAOAALDH1A1SMN1; SMN2GSK3BKDM1A
SCHEMBL29814962 0.77 MAOA (0.45) MAOAALDH1A1SMN1; SMN2GSK3BKDM1A
SCHEMBL347425 0.77 MAOA (0.45) MAOAALDH1A1SMN1; SMN2GSK3BKDM1A
SCHEMBL16728889 0.77 MAOA (0.45) MAOAALDH1A1SMN1; SMN2GSK3BKDM1A
SCHEMBL1412732 0.75 MAOA (0.43) MAOAALDH1A1SMN1; SMN2GSK3BKDM1A
SCHEMBL32662573 0.75 MAOA (0.43) MAOAALDH1A1SMN1; SMN2GSK3BKDM1A
SCHEMBL31571121 0.75 MAOA (0.43) MAOAALDH1A1SMN1; SMN2GSK3BKDM1A
SCHEMBL7138108 0.75 MAOA (0.43) MAOAALDH1A1SMN1; SMN2GSK3BKDM1A

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
EP-0249909-A1 Tricyclic penam compounds, their production and their use Takeda Chemical Industries, Ltd. (JP) 1987-12-23 — — EP disclosed
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