SCHEMBL2228257

SCHEMBL2228257

C#CC(CC#N)Nc1ccccc1C

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.41
▸ SGMS2 Q8NHU3 1/20 0.39
▸ MAPT P10636 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ LMNA P02545 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ FFAR3 O14843 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ HPGD P15428 3/20 0.33
▸ TSHR P16473 1/20 0.32
▸ ALOX12 P18054 1/20 0.32
▸ ADRA2C P18825 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
SCHEMBL2228316 0.81 ALDH1A1 (0.36) ALDH1A1MAPTHTTGAAMEN1
SCHEMBL2227805 0.79 ALDH1A1 (0.40) ALDH1A1SGMS2MAPTHTTLMNA
SCHEMBL2228853 0.73 ALDH1A1 (0.40) ALDH1A1SGMS2MAPTHTTLMNA
SCHEMBL7156936 0.72 HTT (0.42) ALDH1A1SGMS2MAPTHTTLMNA
SCHEMBL2226921 0.71 ALDH1A1 (0.39) ALDH1A1SGMS2MAPTHTTLMNA
SCHEMBL9141059 0.68 ALDH1A1 (0.51) ALDH1A1SGMS2MAPTHTTLMNA
SCHEMBL2484111 0.68 MAPT (0.42) ALDH1A1SGMS2MAPTHTTLMNA
SCHEMBL2229514 0.68 SIGMAR1 (0.44) ALDH1A1HTTLMNAMEN1KMT2A
SCHEMBL1826516 0.67 MAPT (0.61) ALDH1A1MAPTHTTLMNAKDM4E
SCHEMBL7560893 0.67 RAB9A (0.43) ALDH1A1MAPTHTTKDM4EGAA

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
WO-2011091346-A2 POLYMERS FUNCTIONALIZED WITH NITRILE COMPOUNDS CONTAINING A PROTECTED AMINO GROUP BRIDGESTONE CORPORATION (JP) 2011-07-28 — — WO disclosed
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