SCHEMBL6608876

SCHEMBL6608876

COC(=O)c1ccc(S(C)(=O)=O)c(CC2(C)N=NN=N2)c1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.34
VCAM1 P19320 1/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
CA2 P00918 2/20 0.33
KDM4E B2RXH2 2/20 0.33
HSD17B10 Q99714 1/20 0.33
CA1 P00915 1/20 0.33
CA5A P35218 1/20 0.33
CA9 Q16790 1/20 0.33
ABL1 P00519 1/20 0.33
POLB P06746 2/20 0.32
MCOLN3 Q8TDD5 1/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPT P10636 3/20 0.32
ALDH1A1 P00352 3/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C19 P33261 2/20 0.32

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
SCHEMBL6603161 0.86 LMNA (0.38) CA2HSD17B10CA1CA5ACA9
SCHEMBL6606620 0.86 CYP1A2 (0.32) MAPTCYP1A2CYP2C19HPGDCYP3A4
SCHEMBL6602838 0.86 VCAM1 (0.32) CDK1VCAM1SMN1; SMN2CA2KDM4E
SCHEMBL6603030 0.84 PTGS2 (0.38) SMN1; SMN2HSD17B10ABL1POLBLMNA
SCHEMBL29246851 0.79 VCAM1 (0.39) CDK1VCAM1SMN1; SMN2CA2KDM4E
SCHEMBL29246879 0.79 CA2 (0.39) CDK1VCAM1SMN1; SMN2CA2KDM4E
SCHEMBL9075730 0.78 VCAM1 (0.38) CDK1VCAM1SMN1; SMN2CA2KDM4E
SCHEMBL3437073 0.78 CDK1 (0.40) CDK1VCAM1SMN1; SMN2CA2KDM4E
SCHEMBL3436911 0.76 VCAM1 (0.39) CDK1VCAM1SMN1; SMN2CA2KDM4E
SCHEMBL29187562 0.76 SSTR4 (0.37) SMN1; SMN2KDM4EPOLBLMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1476437-A1 NOVEL TETRAZOLE DERIVATIVE USEFUL AS HERBICIDES Bayer CropScience AG (DE) 2004-11-17 EP disclosed
WO-2003066607-A1 NOVEL TETRAZOLE DERIVATIVE USEFUL AS HERBICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2003-08-14 WO disclosed