SCHEMBL8538411

SCHEMBL8538411

COc1nc(C)nc(NC(=O)NS(=O)(=O)Nc2ccc(C#CCl)cc2)n1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.39
KMT2A Q03164 4/20 0.34
HTT P42858 2/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GAA P10253 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
ALDH1A1 P00352 3/20 0.32
AKT1 P31749 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
P2RY1 P47900 1/20 0.32
CDK1 P06493 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
MEN1 O00255 2/20 0.31
USP2 O75604 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
SCHEMBL8534924 0.90 ALOX15 (0.41) ALOX15KMT2AHTTMAPTNPSR1
SCHEMBL8538080 0.85 GAA (0.49) ALOX15KMT2AHTTMAPTGAA
SCHEMBL8538403 0.82 ALOX15 (0.37) ALOX15KMT2AGAAALDH1A1KDM4E
SCHEMBL10945235 0.79 MEN1 (0.42) ALOX15KMT2AHTTMAPTCA1
SCHEMBL10947629 0.78 ALOX15 (0.43) ALOX15KMT2AMAPTNPSR1SMN1; SMN2
SCHEMBL10949592 0.77 ALOX15 (0.43) ALOX15HTTMAPTNPSR1GAA
SCHEMBL10948376 0.75 NPC1 (0.43) ALOX15KMT2AMAPTALDH1A1KDM4E
SCHEMBL10944696 0.75 ALOX15 (0.42) ALOX15KMT2AMAPTGAASMN1; SMN2
SCHEMBL8534941 0.74 GAA (0.49) ALOX15KMT2AHTTMAPTGAA
SCHEMBL6906036 0.74 GAA (0.40) ALOX15KMT2AHTTMAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0770603-B1 Alkynylphenylaminosulfonyl ureas as herbicides ISAGRO RICERCA SRL (IT) 1998-09-16 EP disclosed
US-5721192-A HERBICIDES ISAGRO RICERCA S.R.L. (IT) 1998-02-24 US disclosed
EP-0770603-A1 Alkynylphenylaminosulfonyl ureas as herbicides ISAGRO RICERCA S.r.l. (IT) 1997-05-02 EP disclosed