SCHEMBL9199568

SCHEMBL9199568

COC(=O)c1ccc(N(O)C(C)=O)cc1S(=O)(=O)NC(=O)Nc1ncc(OC)c(OC)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.39
ALPL P05186 2/20 0.34
GAA P10253 1/20 0.34
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TUBB4A P04350 1/20 0.31
TUBB P07437 1/20 0.31
TUBA3C P0DPH7 1/20 0.31
TUBA1B P68363 1/20 0.31
TUBA4A P68366 1/20 0.31
TUBB4B P68371 1/20 0.31
TUBB3 Q13509 1/20 0.31
TUBB2A Q13885 1/20 0.31
TUBB8 Q3ZCM7 1/20 0.31
TUBA3E Q6PEY2 1/20 0.31

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
SCHEMBL9202913 0.83 CDK1 (0.55) CDK1GAAMEN1KMT2A
SCHEMBL11384571 0.76 CDK1 (0.40) CDK1ALPLGAAMEN1KMT2A
SCHEMBL9197645 0.76 CDK1 (0.55) CDK1GAAMEN1KMT2A
SCHEMBL11359430 0.74 GAA (0.36) GAAMEN1KMT2AKDM4EALDH1A1
SCHEMBL11039031 0.74 MAPT (0.36) CDK1GAAMEN1KMT2AKDM4E
SCHEMBL10968069 0.74 CA2 (0.43) GAAKMT2AKDM4EALDH1A1FBP1
SCHEMBL9863318 0.72 LMNA (0.40) MEN1KMT2AALDH1A1
SCHEMBL7690176 0.71 CDK1 (0.39) CDK1ALPLGAA
SCHEMBL11269372 0.71 KDM4E (0.41) GAAKMT2AKDM4EALDH1A1FBP1
SCHEMBL9196485 0.71 CA2 (0.54) CDK1GAAKDM4EALDH1A1HSD17B10

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-0660828-A1 HYDROXYL AMINO PHENYL SULPHONYL UREAS, THEIR PREPARATION AND THEIR USE AS HERBICIDES AND PLANT GROWTH REGULATORS Hoechst Schering AgrEvo GmbH (DE) 1995-07-05 EP disclosed
WO-1994006778-A1 HYDROXYL AMINO PHENYL SULPHONYL UREAS, THEIR PREPARATION AND THEIR USE AS HERBICIDES AND PLANT GROWTH REGULATORS HOECHST SCHERING AGREVO GMBH (DE) 1994-03-31 WO disclosed