SCHEMBL9588686

SCHEMBL9588686

COC(=O)c1ccccc1S(=O)(=O)N(C(N)=NN)c1nc(C)cc(C)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA5A P35218 1/20 0.48
CA9 Q16790 1/20 0.48
KDM4E B2RXH2 4/20 0.39
MAPT P10636 1/20 0.39
SLC40A1 Q9NP59 1/20 0.39
HSD17B10 Q99714 2/20 0.38
BRD4 O60885 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KMT2A Q03164 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.38
F2 P00734 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
NPC1 O15118 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL10502876 0.91 CA1 (0.44) CA1CA2CA5ACA9KDM4E
SCHEMBL6054812 0.91 CA1 (0.50) CA1CA2CA5ACA9KDM4E
SCHEMBL9587146 0.88 CA1 (0.41) CA1CA2CA5ACA9KDM4E
SCHEMBL9743094 0.88 CA1 (0.47) CA1CA2CA5ACA9MAPT
SCHEMBL9587373 0.86 CA1 (0.48) CA1CA2CA5ACA9MAPT
SCHEMBL9588694 0.82 EDNRA (0.43) MAPTKMT2AMEN1
SCHEMBL9586448 0.81 CA1 (0.40) CA1CA2CA5ACA9KDM4E
SCHEMBL9591445 0.80 KDM4E (0.58) CA1CA2KDM4EMAPTSMN1; SMN2
SCHEMBL10865204 0.79 ALDH1A1 (0.41) KDM4EHSD17B10SMN1; SMN2KMT2ATDP1
SCHEMBL9474698 0.78 KDM4E (0.39) KDM4EHSD17B10SMN1; SMN2KMT2AL3MBTL1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5092917-A HERBICIDAL AMINOGUANIDINOAZINES BAYER AKTIENGESELLSCHAFT (DE) 1992-03-03 US claimed
US-5211740-A Applying triazinyl sulfonylguanidine derivatives BAYER AKTIENGESELLSCHAFT (DE) 1993-05-18 US disclosed
US-5211740-A Applying triazinyl sulfonylguanidine derivatives BAYER AKTIENGESELLSCHAFT (DE) 1993-05-18 US disclosed
US-5092917-A HERBICIDAL AMINOGUANIDINOAZINES BAYER AKTIENGESELLSCHAFT (DE) 1992-03-03 US disclosed
US-5092917-A HERBICIDAL AMINOGUANIDINOAZINES BAYER AKTIENGESELLSCHAFT (DE) 1992-03-03 US disclosed
EP-0343462-A1 Aminoguanidino azines BAYER AG (DE) 1989-11-29 EP disclosed