SCHEMBL9749899

SCHEMBL9749899

COc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)O)nc(C(F)(F)F)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.46
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
NPC1 O15118 1/20 0.43
GAA P10253 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP13 P45452 1/20 0.40
MAPK1 P28482 1/20 0.39
CA12 O43570 3/20 0.38
CA9 Q16790 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
F2 P00734 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37

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
SCHEMBL7562831 0.92 MAPT (0.44) MAPTKDM4EALDH1A1NPC1GAA
SCHEMBL9364251 0.92 MAPT (0.43) MAPTKDM4EALDH1A1NPC1GAA
SCHEMBL7452390 0.89 MAPT (0.49) MAPTKDM4EALDH1A1NPC1GAA
SCHEMBL9202687 0.88 MAPT (0.46) MAPTKDM4EALDH1A1NPC1GAA
SCHEMBL53993 0.88 MAPT (0.45) MAPTKDM4EALDH1A1NPC1GAA
SCHEMBL30116869 0.88 MAPT (0.45) MAPTKDM4EALDH1A1NPC1GAA
SCHEMBL29508588 0.88 MAPT (0.45) MAPTKDM4EALDH1A1NPC1GAA
SCHEMBL6829101 0.87 MAPT (0.44) MAPTKDM4EALDH1A1NPC1GAA
SCHEMBL8843178 0.87 ALDH1A1 (0.57) MAPTKDM4EALDH1A1NPC1GAA
SCHEMBL9749912 0.86 CDK1 (0.40) MAPTKDM4EALDH1A1NPC1GAA

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-5160365-A HERBICIDAL 1,3,5-TRIAZIN-2-YLUREIDOSULFONYLBENZOIC ESTERS BASF AKTIENGESELLSCHAFT (DE) 1992-11-03 US disclosed