SCHEMBL4465638

SCHEMBL4465638

COC(=O)c1c(Cl)nn(C)c1S(=O)(=O)Nc1nc(OC)cc(OC)n1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP1A2 P05177 1/20 0.40
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 3/20 0.38
TP53 P04637 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL55094 0.86 GAA (0.52) CYP1A2KDM4EALDH1A1MAPTTP53
Halosulfuron SCHEMBL22721319 0.83 GAA (0.48) CYP1A2KDM4EALDH1A1MAPTTP53
SCHEMBL8358944 0.81 GAA (0.46) TSHRSMN1; SMN2CYP1A2ALDH1A1MAPT
SCHEMBL8358886 0.80 GAA (0.47) SMN1; SMN2CYP1A2KDM4EALDH1A1MAPT
SCHEMBL9441836 0.80 GAA (0.43) TSHRSMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL16872438 0.79 TP53 (0.37) TSHRSMN1; SMN2CYP1A2MAPTTP53
SCHEMBL10738946 0.78 L3MBTL1 (0.37) TSHRKDM4EALDH1A1TP53GLA
SCHEMBL13227326 0.77 GAA (0.52) TSHRCYP1A2KDM4EALDH1A1MAPT
Halosulfuron SCHEMBL66216 0.77 GAA (0.52) SMN1; SMN2CYP1A2ALDH1A1MAPTTP53
SCHEMBL7793871 0.76 FBP1 (0.40) SMN1; SMN2KDM4EALDH1A1TP53GAA

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
WO-2009064001-A2 HERBICIDAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-05-22 WO disclosed