SCHEMBL16728889

SCHEMBL16728889

C[C@H]1Sc2ccccc2N1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.45
▸ GPR3 P46089 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ PTPN2 P17706 1/20 0.36
▸ PTPN1 P18031 1/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ KDM1A O60341 3/20 0.35
▸ NOX1 Q9Y5S8 2/20 0.34
▸ ADRA2A P08913 2/20 0.34
▸ ADRA2B P18089 2/20 0.34
▸ ADRA2C P18825 2/20 0.34
▸ CHRM3 P20309 2/20 0.34

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
SCHEMBL29814962 1.00 MAOA (0.45) MAOAGPR3ALDH1A1SMN1; SMN2KDM4E
SCHEMBL347425 1.00 MAOA (0.45) MAOAGPR3ALDH1A1SMN1; SMN2KDM4E
Iodide SCHEMBL17092835 0.98 MAOA (0.43) MAOAGPR3ALDH1A1SMN1; SMN2KDM4E
Iodide SCHEMBL28378810 0.96 MAOA (0.42) MAOAGPR3ALDH1A1SMN1; SMN2KDM4E
Sulfuric Acid SCHEMBL28551070 0.89 BCHE (0.39) MAOAALDH1A1SMN1; SMN2GSK3BMEN1
SCHEMBL11684678 0.89 MAPT (0.41) MAOAGPR3ALDH1A1SMN1; SMN2HPGD
SCHEMBL12264201 0.80 MAOA (0.46) MAOAGPR3ALDH1A1SMN1; SMN2GSK3B
SCHEMBL16709179 0.79 MAOA (0.42) MAOAALDH1A1SMN1; SMN2KDM4EGSK3B
SCHEMBL19362157 0.77 MAOA (0.39) MAOAALDH1A1SMN1; SMN2GSK3BPTPN2
SCHEMBL1156077 0.77 MAOA (0.43) MAOAGPR3ALDH1A1SMN1; SMN2GSK3B

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-20150137096-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2015-05-21 — — US disclosed
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