SCHEMBL10522254

SCHEMBL10522254

COC(=O)c1ccccc1CS(=O)(=O)N(C(=N)N(OC)c1nc(OC)cc(OC)n1)S(=O)(=O)c1ccccc1C(=O)OC

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA5A P35218 1/20 0.37
CA9 Q16790 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.36
ALDH1A1 P00352 4/20 0.35
HSD17B10 Q99714 4/20 0.35
KDM4E B2RXH2 4/20 0.35
MAPT P10636 2/20 0.35
TP53 P04637 1/20 0.35
GLA P06280 1/20 0.35
HTT P42858 2/20 0.33
MAPK1 P28482 2/20 0.33
LMNA P02545 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL9730157 0.76 ALDH1A1 (0.38) KMT2AMEN1CA1CA2CA5A
SCHEMBL30980416 0.76 ALDH1A1 (0.40) KMT2AMEN1CA1CA2CA5A
SCHEMBL9223324 0.76 ALDH1A1 (0.40) KMT2AMEN1CA1CA2CA5A
SCHEMBL10524410 0.73 KMT2A (0.39) KMT2AMEN1CA1CA2CA5A
SCHEMBL9586437 0.73 ALDH1A1 (0.38) KMT2AMEN1CA1CA2CA5A
SCHEMBL9730399 0.73 CA1 (0.45) KMT2AMEN1CA1CA2CA5A
SCHEMBL9730664 0.72 KMT2A (0.37) KMT2AMEN1CA1CA2CA5A
SCHEMBL9852636 0.71 MAPT (0.42) KMT2AMEN1CA1CA2CA5A
SCHEMBL8159483 0.71 MAPT (0.44) KMT2AMEN1CA1CA2CA5A
SCHEMBL1765911 0.70 MAPT (0.47) KMT2AMEN1SMN1; SMN2ALDH1A1MAPT

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
EP-0343462-A1 Aminoguanidino azines BAYER AG (DE) 1989-11-29 EP disclosed