SCHEMBL9730664

SCHEMBL9730664

COC(=O)c1ccccc1CS(=O)(=O)NC(=Nc1nc(OC)cc(OC)n1)N(OC)S(=O)(=O)c1ccccc1C(=O)OC

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA5A P35218 1/20 0.36
CA9 Q16790 1/20 0.36
HSD17B10 Q99714 4/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
HTT P42858 2/20 0.34
MAPK1 P28482 1/20 0.34
MAPT P10636 2/20 0.34
TP53 P04637 1/20 0.34
GLA P06280 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 1/20 0.33
RORC P51449 1/20 0.33
SLC40A1 Q9NP59 1/20 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
SCHEMBL10749376 0.81 CA1 (0.44) KMT2AMEN1CA1CA2CA5A
SCHEMBL9853184 0.74 ALDH1A1 (0.38) KMT2AMEN1CA1CA2CA5A
SCHEMBL9852636 0.74 MAPT (0.42) KMT2AMEN1CA1CA2CA5A
SCHEMBL9461802 0.74 ALDH1A1 (0.43) KMT2AMEN1CA1CA2CA5A
Bensulfuron Methyl SCHEMBL6382944 0.72 GAA (0.51) KMT2AALDH1A1SMN1; SMN2MAPTTP53
Bensulfuron Methyl SCHEMBL55028 0.72 GAA (0.51) KMT2AALDH1A1SMN1; SMN2MAPTTP53
Bensulfuron Methyl SCHEMBL27491070 0.72 GAA (0.51) KMT2AALDH1A1SMN1; SMN2MAPTTP53
SCHEMBL7013464 0.72 ALDH1A1 (0.41) KMT2AMEN1CA1CA2CA5A
Bensulfuron Methyl SCHEMBL29368260 0.72 GAA (0.51) KMT2AALDH1A1SMN1; SMN2MAPTTP53
SCHEMBL10522254 0.72 KMT2A (0.38) KMT2AMEN1CA1CA2CA5A

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-5125960-A Pre- and postemergence BAYER AKTIENGESELLSCHAFT (DE) 1992-06-30 US disclosed