SCHEMBL11021552

SCHEMBL11021552

CCCN(CCC)S(=O)(=O)c1ccc(-c2nc3cc(C#N)ccc3[nH]2)c(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
MAPT P10636 2/20 0.41
MAPK10 P53779 1/20 0.39
PDE4A P27815 2/20 0.39
PDE4B Q07343 2/20 0.39
PDE4C Q08493 2/20 0.39
PDE4D Q08499 2/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
P4HB P07237 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
LMNA P02545 3/20 0.37
MEN1 O00255 2/20 0.37
TP53 P04637 2/20 0.37
ALOX15 P16050 2/20 0.37
HTT P42858 2/20 0.37
KMT2A Q03164 2/20 0.37
TDP1 Q9NUW8 2/20 0.37

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
SCHEMBL11021561 0.93 L3MBTL1 (0.47) L3MBTL1MAPTPDE4APDE4BPDE4C
SCHEMBL11018857 0.88 MAPT (0.44) MAPTMAPK10CA12CA1CA2
SCHEMBL10763275 0.86 MAPK10 (0.42) MAPK10CA12CA1CA2CA9
SCHEMBL11018071 0.86 CYP2C9 (0.47) MAPK10CA12CA1CA2CA9
SCHEMBL11021893 0.84 ATR (0.44) MAPK10CA12CA1CA2CA9
SCHEMBL11020313 0.83 CA2 (0.54) MAPK10CA12CA1CA2CA9
SCHEMBL11017633 0.83 ALDH1A1 (0.44) MAPTMAPK10PDE4APDE4BPDE4C
SCHEMBL11018192 0.83 MAPT (0.48) L3MBTL1MAPTPDE4APDE4BPDE4C
SCHEMBL11016112 0.82 SCN9A (0.42) MAPTMAPK10CA12CA1CA2
SCHEMBL11021736 0.81 MAPT (0.43) MAPTSMN1; SMN2HTTKMT2AHCRTR2

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
EP-0148431-A1 Benzimidazoles, their preparation, and medicaments containing these compounds Dr. Karl Thomae GmbH (DE) 1985-07-17 EP disclosed