SCHEMBL19362157

SCHEMBL19362157

C[C@H]1Sc2ccccc2N1I

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.39
▸ GSK3B P49841 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ KDM1A O60341 2/20 0.34
▸ NOX1 Q9Y5S8 1/20 0.33
▸ BCHE P06276 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ PTPN2 P17706 1/20 0.32
▸ PTPN1 P18031 1/20 0.32

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
SCHEMBL347425 0.77 MAOA (0.45) MAOAGSK3BMEN1POLBKMT2A
SCHEMBL29814962 0.77 MAOA (0.45) MAOAGSK3BMEN1POLBKMT2A
SCHEMBL16728889 0.77 MAOA (0.45) MAOAGSK3BMEN1POLBKMT2A
Iodide SCHEMBL17092835 0.75 MAOA (0.43) MAOAGSK3BMEN1POLBKMT2A
SCHEMBL16709169 0.73 MAOA (0.38) MAOAGSK3BMEN1POLBKMT2A
Iodide SCHEMBL28378810 0.73 MAOA (0.42) MAOAGSK3BMEN1POLBKMT2A
SCHEMBL16709179 0.73 MAOA (0.42) MAOAGSK3BMEN1POLBKMT2A
SCHEMBL16726512 0.72 MAOA (0.36) MAOAGSK3BMEN1POLBKMT2A
SCHEMBL16470329 0.72 MAOA (0.36) MAOAGSK3BMEN1POLBKMT2A
SCHEMBL16726439 0.72 MAOA (0.36) MAOAGSK3BMEN1POLBKMT2A

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
EP-3220441-B1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORP (US) 2020-04-22 — — EP disclosed
EP-3220441-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES Universal Display Corporation (US) 2017-09-20 — — EP disclosed
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