SCHEMBL7192569

SCHEMBL7192569

CN(C)C(=CC#N)c1nccs1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
FTO Q9C0B1 1/20 0.32
PLA2G7 Q13093 1/20 0.31
HTR7 P34969 1/20 0.30

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
SCHEMBL13369309 0.79 ALDH1A1 (0.52) ALDH1A1FTOPLA2G7
SCHEMBL7535989 0.74 FTO (0.45) ALDH1A1FTO
SCHEMBL13369212 0.73 ALDH1A1 (0.42) ALDH1A1FTO
SCHEMBL5141219 0.71 ALDH1A1 (0.40) ALDH1A1FTO
SCHEMBL15658000 0.70 FTO (0.42) ALDH1A1FTOHTR7
SCHEMBL7192578 0.70 FTO (0.42) ALDH1A1FTOHTR7
SCHEMBL15657999 0.70 FTO (0.42) ALDH1A1FTOHTR7
SCHEMBL16533076 0.68 ALDH1A1 (0.47) ALDH1A1FTOPLA2G7
SCHEMBL2653141 0.67 ALDH1A1 (0.61) ALDH1A1PLA2G7HTR7
SCHEMBL27708379 0.67 TBXAS1 (0.54) ALDH1A1

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-2003007955-A2 BIPHENYL APURINIC/APYRIMIDINIC SITE ENDONUCLEASE INHIBITORS TO TREAT CANCER CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2003-01-30 WO disclosed