SCHEMBL13626237

SCHEMBL13626237

CC(C)NC(=O)c1ccc(-c2csc(N)n2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.61
KDM4E B2RXH2 5/20 0.61
LTA4H P09960 1/20 0.51
MKNK1 Q9BUB5 1/20 0.51
MKNK2 Q9HBH9 1/20 0.51
RAB9A P51151 12/20 0.51
NPC1 O15118 10/20 0.51
MAPT P10636 6/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
POLB P06746 2/20 0.51
MAPK14 Q16539 1/20 0.50
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
LMNA P02545 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
ALOX5 P09917 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL1553078 0.81 ALDH1A1 (0.67) ALDH1A1KDM4ELTA4HMKNK1MKNK2
SCHEMBL3826303 0.80 ALDH1A1 (0.61) ALDH1A1KDM4ELTA4HMKNK1MKNK2
SCHEMBL3134349 0.79 ALDH1A1 (0.73) ALDH1A1KDM4ELTA4HMKNK1MKNK2
SCHEMBL3826132 0.77 MAPK14 (0.68) ALDH1A1KDM4ELTA4HMKNK1MKNK2
SCHEMBL3134414 0.77 KDM4E (1.00) ALDH1A1KDM4ELTA4HMKNK1MKNK2
SCHEMBL6181560 0.77 CTSB (0.68) ALDH1A1KDM4E
SCHEMBL3135735 0.76 MAPK14 (0.74) ALDH1A1KDM4ELTA4HMKNK1MKNK2
SCHEMBL7450318 0.76 CTSB (0.54) ALDH1A1KDM4E
SCHEMBL10052242 0.76 MLYCD (0.63) ALDH1A1RAB9ANPC1MAPTLMNA
SCHEMBL29427810 0.76 NPC1 (0.66) ALDH1A1KDM4ERAB9ANPC1MAPT

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-2009143361-A1 AMIDO ANTI-VIRAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-11-26 WO disclosed