SCHEMBL27701441

SCHEMBL27701441

CNC(=O)N(C)c1ccccc1C#N

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
HDAC6 Q9UBN7 2/20 0.41
ALDH1A1 P00352 2/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
GAA P10253 4/20 0.38
KMT2A Q03164 2/20 0.37
LMNA P02545 1/20 0.37
KDM4E B2RXH2 1/20 0.37
TSHR P16473 2/20 0.37
IMPDH2 P12268 3/20 0.37
PDK1 Q15118 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK3 Q15120 1/20 0.36
PDK4 Q16654 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL8544711 0.80 GAA (0.44) POLBHDAC6ALDH1A1HTTL3MBTL1
SCHEMBL11789572 0.78 ALDH1A1 (0.41) HDAC6ALDH1A1HTTL3MBTL1GAA
SCHEMBL1315041 0.77 ROCK2 (0.37) ALDH1A1L3MBTL1GAALMNAKDM4E
SCHEMBL5049141 0.77 CXCR2 (0.41) POLBALDH1A1L3MBTL1GAAKMT2A
SCHEMBL31612303 0.77 ALDH1A1 (0.40) HDAC6ALDH1A1HTTL3MBTL1GAA
SCHEMBL28617457 0.75 MAPK3 (0.43) HDAC6ALDH1A1HTTL3MBTL1GAA
SCHEMBL8378409 0.75 PDK1 (0.41) HDAC6ALDH1A1HTTL3MBTL1GAA
SCHEMBL28679627 0.75 ALDH1A1 (0.39) HDAC6ALDH1A1HTTL3MBTL1GAA
SCHEMBL13806415 0.75 HDAC6 (0.40) HDAC6ALDH1A1HTTL3MBTL1GAA
SCHEMBL3989842 0.75 HDAC6 (0.40) HDAC6ALDH1A1HTTL3MBTL1GAA

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
CN-101014343-A Tetracyclic lactam derivatives and uses thereof INOTEK PHARMACEUTICALS CORP (US) 2007-08-08 CN disclosed