SCHEMBL16726512

SCHEMBL16726512

CC1Sc2ccccc2N1C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.36
▸ GSK3B P49841 1/20 0.34
▸ BCHE P06276 4/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ NOX1 Q9Y5S8 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ NOTUM Q6P988 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
SCHEMBL16726439 1.00 MAOA (0.36) MAOAGSK3BBCHEMEN1POLB
SCHEMBL7935765 0.79 MAOA (0.35) MAOAGSK3BBCHECYP3A4CYP2D6
SCHEMBL8469462 0.78 MAOA (0.34) MAOAGSK3BBCHECYP3A4CYP2D6
SCHEMBL212848 0.77 MAOA (0.33) MAOABCHECYP3A4CYP2D6CYP2C19
SCHEMBL3477800 0.75 MAOA (0.32) MAOABCHE
SCHEMBL28426254 0.75 MAOA (0.32) MAOABCHE
SCHEMBL535563 0.75 MAOA (0.32) MAOABCHE
SCHEMBL23031975 0.74 BCHE (0.35) BCHETSHRL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL16728889 0.74 MAOA (0.45) MAOAGSK3BBCHEMEN1POLB
SCHEMBL347425 0.74 MAOA (0.45) MAOAGSK3BBCHEMEN1POLB

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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