SCHEMBL6292016

SCHEMBL6292016

O=S(=O)(Nc1cnccn1)c1cccnc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC40A1 Q9NP59 5/20 0.55
GLO1 Q04760 1/20 0.55
KEAP1 Q14145 1/20 0.50
NFE2L2 Q16236 1/20 0.50
KMT2A Q03164 2/20 0.49
EDNRA P25101 1/20 0.49
NAPRT Q6XQN6 1/20 0.49
CA2 P00918 1/20 0.48
CKS1B P61024 3/20 0.48
SKP2 Q13309 3/20 0.48
GAA P10253 1/20 0.46
MEN1 O00255 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
SNCA P37840 1/20 0.44
SLC1A3 P43003 1/20 0.43
SLC1A2 P43004 1/20 0.43
SLC1A1 P43005 1/20 0.43

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
SCHEMBL1094138 0.88 POLB (0.55) KEAP1KMT2AEDNRAGAAMEN1
SCHEMBL19332648 0.80 KDM4E (0.47) EDNRASMN1; SMN2
SCHEMBL152522 0.79 SMN1; SMN2 (0.65) KMT2AEDNRAMEN1SMN1; SMN2
SCHEMBL15880397 0.79 SMN1; SMN2 (0.56) EDNRASMN1; SMN2
SCHEMBL25382203 0.78 SMN1; SMN2 (0.52) SLC40A1GLO1KEAP1NFE2L2KMT2A
SCHEMBL3477271 0.78 SLC40A1 (0.50) SLC40A1GLO1KEAP1NFE2L2KMT2A
SCHEMBL30354832 0.78 SMN1; SMN2 (0.52) SLC40A1GLO1KEAP1NFE2L2KMT2A
SCHEMBL28409808 0.78 SMN1; SMN2 (0.63) KMT2AEDNRAMEN1SMN1; SMN2
SCHEMBL6811801 0.77 SLC40A1 (0.56) SLC40A1GLO1KEAP1NFE2L2KMT2A
SCHEMBL9302174 0.76 MAPT (0.68) KMT2AEDNRACA2GAAMEN1

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
US-6943254-B2 Synthesis of pyrazinyl pyridine-3-sulfonamide compounds ASTRAZENECA UK LIMITED (GB) 2005-09-13 US disclosed