SCHEMBL11201136

SCHEMBL11201136

Nc1cccnc1Nc1ccccc1-c1cccc(C=O)c1-c1ccccc1Nc1ncccc1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
MAPK14 Q16539 4/20 0.36
TRIM24 O15164 1/20 0.35
TRIM33 Q9UPN9 1/20 0.35
HTT P42858 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 1/20 0.34
PDE10A Q9Y233 1/20 0.34
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
NFKBIA P25963 1/20 0.33
RELA Q04206 1/20 0.33
SLC40A1 Q9NP59 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL11160842 0.90 KMT2A (0.37) CA12CA1CA2CA9MAPK14
SCHEMBL10370951 0.90 CA12 (0.42) CA12CA1CA2CA9MAPK14
SCHEMBL11095322 0.89 MAPT (0.43) CA12CA1CA2CA9MAPK14
SCHEMBL11122670 0.89 SMN1; SMN2 (0.43) CA12CA1CA2CA9MAPK14
SCHEMBL11154277 0.87 MEN1 (0.36) CA12CA1CA2CA9MAPK14
SCHEMBL11156567 0.86 TRIM24 (0.40) CA12CA1CA2CA9MAPK14
SCHEMBL11158224 0.86 CA12 (0.38) CA12CA1CA2CA9MAPK14
SCHEMBL11087998 0.86 KMT2A (0.40) CA12CA1CA2CA9MAPK14
SCHEMBL11176334 0.86 TRIM24 (0.36) CA12CA1CA2CA9MAPK14
SCHEMBL11180700 0.86 HPGD (0.37) CA12CA1CA2CA9MAPK14

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-0076017-A2 Phenyl substituted pyrido(1,4)benzodiazepines and intermediates therefor A.H. ROBINS COMPANY, INCORPORATED (US) 1983-04-06 EP claimed