SCHEMBL9833657

SCHEMBL9833657

CC(=O)N/N=C(/Nc1nc(C)cc(C)n1)NS(=O)(=O)c1ccccc1Cl

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.47
LMNA P02545 2/20 0.47
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
NPC1 O15118 1/20 0.43
PIK3C3 Q8NEB9 1/20 0.43
PCTP Q9UKL6 1/20 0.41
FLT1 P17948 1/20 0.41
FLT4 P35916 1/20 0.41
KDR P35968 1/20 0.41
AKT1 P31749 1/20 0.40
USP2 O75604 1/20 0.40

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
SCHEMBL9833662 1.00 GAA (0.47) GAALMNAMEN1KMT2ARAB9A
SCHEMBL10501740 0.86 GAA (0.51) GAALMNAMEN1KMT2ARAB9A
SCHEMBL10416581 0.86 GAA (0.51) GAALMNAMEN1KMT2ARAB9A
SCHEMBL9835853 0.86 GAA (0.54) GAALMNAMEN1KMT2ARAB9A
SCHEMBL9835846 0.86 GAA (0.54) GAALMNAMEN1KMT2ARAB9A
SCHEMBL10416580 0.86 GAA (0.51) GAALMNAMEN1KMT2ARAB9A
Sulfuric Acid SCHEMBL11101202 0.84 GAA (0.49) GAALMNAMEN1KMT2ARAB9A
SCHEMBL9763671 0.83 GAA (0.48) GAALMNAMEN1KMT2ARAB9A
SCHEMBL10498990 0.83 LMNA (0.48) GAALMNAMEN1KMT2ARAB9A
SCHEMBL9479057 0.83 GAA (0.45) GAALMNAMEN1KMT2ASMN1; SMN2

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-0343462-B1 AMINOGUANIDINO AZINES BAYER AG (DE) 1991-12-11 EP disclosed