SCHEMBL8534934

SCHEMBL8534934

COc1cc(OC)nc(NC(=O)NS(=O)(=O)Nc2ccccc2C#CBr)n1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
MAPT P10636 2/20 0.44
TP53 P04637 1/20 0.44
GLA P06280 1/20 0.44
ALOX15 P16050 1/20 0.41
CYP1A2 P05177 1/20 0.41
KMT2A Q03164 1/20 0.40
CDK1 P06493 1/20 0.39
HDAC1 Q13547 1/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SLC16A3 O15427 2/20 0.36

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
SCHEMBL8537796 0.92 GAA (0.48) GAAMAPTTP53GLAALOX15
SCHEMBL8538069 0.91 GAA (0.47) GAAMAPTTP53GLAALOX15
SCHEMBL8536302 0.90 GAA (0.47) GAAMAPTTP53GLAALOX15
SCHEMBL10947432 0.88 GAA (0.49) GAAMAPTTP53GLAALOX15
SCHEMBL8536431 0.88 GAA (0.49) GAAMAPTTP53GLAALOX15
SCHEMBL8535329 0.88 GAA (0.45) GAAMAPTTP53GLAALOX15
SCHEMBL8538228 0.88 GAA (0.47) GAAMAPTTP53GLAALOX15
SCHEMBL8541132 0.87 GAA (0.44) GAAMAPTTP53GLAALOX15
SCHEMBL8534921 0.85 ALOX15 (0.40) GAATP53ALOX15SLC16A3
SCHEMBL8539979 0.85 GAA (0.43) GAAMAPTTP53GLAALOX15

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