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SCHEMBL8382964

SCHEMBL8382964

C=C(C)C(=O)OC(OC(=O)CCc1cc(-n2nc3ccc(Sc4ccccc4)cc3n2)c(O)c(C(C)(C)C)c1)C(C)O

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 3/20 0.33
▸ MAOA P21397 2/20 0.33
▸ ACHE P22303 1/20 0.32
▸ GAA P10253 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ AGTR1 P30556 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ SMN1; SMN2 Q16637 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
SCHEMBL8384833 0.89 MAOB (0.31) MAOBMAOA
SCHEMBL8040272 0.87 MAOB (0.32) MAOBMAOAACHEGAA
SCHEMBL8050174 0.86 MAOA (0.30) MAOBMAOA
SCHEMBL9320497 0.83 MAOB (0.34) MAOBMAOAACHEGAAALDH1A1
SCHEMBL8050940 0.82 MAOB (0.39) MAOBMAOAACHEGAAALDH1A1
SCHEMBL8382966 0.81 — —
SCHEMBL8050552 0.80 MAOB (0.38) MAOBMAOAACHEGAAALDH1A1
SCHEMBL8050554 0.80 MAOB (0.38) MAOBMAOAACHEGAAALDH1A1
SCHEMBL9318475 0.80 MAOB (0.35) MAOBMAOAACHEGAAALDH1A1
SCHEMBL9302049 0.80 MAOB (0.32) MAOBMAOAACHEGAA

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
US-5942626-A REACTING A 5-HALO-SUBSTITUTED BENZOTRIAZOLE WITH A MERCAPTO COMPOUND IN THE PRESENCE OF A GROUP 1A METAL OR GROUP 2A COMPOUND FORMING 5-THIO-SUBSTITUTED 2H-BENZOTRIAZOLES HAVING ENHANCED ABSORBANCE AT LONGER WAVELENGTHS CIBA SPECIALTY CHEMICALS CORPORATION (US) 1999-08-24 — — US disclosed