SCHEMBL3634769

SCHEMBL3634769

Cc1ccc2nn(CCC#N)nc2c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
ALDH1A1 P00352 3/20 0.42
KMT2A Q03164 2/20 0.39
LMNA P02545 2/20 0.38
TSHR P16473 3/20 0.38
GAA P10253 1/20 0.38
ALOX15 P16050 1/20 0.37
PDE10A Q9Y233 2/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
HTT P42858 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
SCHEMBL102802 0.83 MAPT (0.42) MAPTL3MBTL1ALDH1A1KMT2ALMNA
SCHEMBL14382270 0.73 TLR8 (0.52) MAPTL3MBTL1TP53
SCHEMBL204025 0.72 MAPT (0.35) MAPTL3MBTL1ALDH1A1KMT2ALMNA
SCHEMBL9909829 0.72 NQO2 (0.46) MAPTL3MBTL1ALDH1A1KMT2ALMNA
SCHEMBL16509309 0.71 NLRP3 (0.67) MAPTALDH1A1LMNATSHRTP53
SCHEMBL7364726 0.70 MAPT (0.39) MAPTL3MBTL1ALDH1A1KMT2ALMNA
SCHEMBL3634768 0.68 KDM4E (0.37) MAPTL3MBTL1ALDH1A1KMT2ALMNA
SCHEMBL7086885 0.66 NPC1 (0.47) MAPTL3MBTL1ALDH1A1KMT2ALMNA
SCHEMBL28818202 0.66 NQO2 (0.45) MAPTL3MBTL1ALDH1A1KMT2ALMNA
SCHEMBL8426124 0.66 NQO2 (0.45) MAPTL3MBTL1ALDH1A1KMT2ALMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2155699-A1 ARYLOAZOL-2-YL CYANOETHYLAMINO COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF Merial Limited (US) 2010-02-24 EP disclosed
WO-2008144275-A1 ARYLOAZOL-2-YL CYANOETHYLAMINO COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF MERIAL LIMITED (US) 2008-11-27 WO disclosed