SCHEMBL1830247

SCHEMBL1830247

N/C(=N/S(=O)(=O)c1cccc2cccnc12)NCc1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.46
CA2 P00918 2/20 0.46
CA1 P00915 1/20 0.46
CA9 Q16790 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
GAA P10253 4/20 0.43
MAPT P10636 2/20 0.43
APOBEC3G Q9HC16 2/20 0.43
HSD17B10 Q99714 1/20 0.43
P4HTM Q9NXG6 1/20 0.43
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL12658062 1.00 MAPK1 (0.46) MAPK1CA2CA1CA9SMN1; SMN2
SCHEMBL1830250 1.00 MAPK1 (0.46) MAPK1CA2CA1CA9SMN1; SMN2
SCHEMBL1833219 0.87 F2 (0.54) CA2CA1SMN1; SMN2KDM4EALDH1A1
SCHEMBL1833222 0.87 F2 (0.54) CA2CA1SMN1; SMN2KDM4EALDH1A1
SCHEMBL12658168 0.87 F2 (0.54) CA2CA1SMN1; SMN2KDM4EALDH1A1
SCHEMBL1828515 0.79 SMN1; SMN2 (0.51) CA2CA1SMN1; SMN2KDM4EALDH1A1
SCHEMBL1828512 0.79 SMN1; SMN2 (0.51) CA2CA1SMN1; SMN2KDM4EALDH1A1
SCHEMBL13438569 0.78 F2 (0.54) CA2CA1SMN1; SMN2KDM4EALDH1A1
SCHEMBL1831727 0.78 F2 (0.54) CA2CA1SMN1; SMN2KDM4EALDH1A1
SCHEMBL1831724 0.78 F2 (0.54) CA2CA1SMN1; SMN2KDM4EALDH1A1

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-1320520-B1 SULFONYLGUANIDINE GRUENENTHAL GMBH (DE) 2011-05-11 EP claimed