SCHEMBL9835846

SCHEMBL9835846

Cc1cc(C)nc(N/C(=N/N)NS(=O)(=O)c2ccccc2Cl)n1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.54
LMNA P02545 2/20 0.54
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 3/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPC1 O15118 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
PCTP Q9UKL6 1/20 0.42
FLT1 P17948 1/20 0.41
FLT4 P35916 1/20 0.41
KDR P35968 1/20 0.41
TSHR P16473 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 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
SCHEMBL9835853 1.00 GAA (0.54) GAALMNAALDH1A1KDM4ERAB9A
SCHEMBL10416580 0.90 GAA (0.51) GAALMNAALDH1A1KDM4ERAB9A
SCHEMBL10416581 0.90 GAA (0.51) GAALMNAALDH1A1KDM4ERAB9A
SCHEMBL10501740 0.90 GAA (0.51) GAALMNAALDH1A1KDM4ERAB9A
SCHEMBL10517445 0.90 SMN1; SMN2 (0.49) GAALMNAALDH1A1KDM4ESMN1; SMN2
Sulfuric Acid SCHEMBL11101202 0.88 GAA (0.49) GAALMNAALDH1A1KDM4ERAB9A
SCHEMBL10498990 0.87 LMNA (0.48) GAALMNAALDH1A1KDM4ERAB9A
SCHEMBL9763671 0.87 GAA (0.48) GAALMNAALDH1A1KDM4ERAB9A
SCHEMBL9833657 0.86 GAA (0.47) GAALMNAALDH1A1KDM4ERAB9A
SCHEMBL9833662 0.86 GAA (0.47) GAALMNAALDH1A1KDM4ERAB9A

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