SCHEMBL7693190

SCHEMBL7693190

COc1nc(C)nc(N(C(=O)NS(=O)(=O)c2ccccc2C(=O)O)c2nc(C)nc(OC)n2)n1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
MMP13 P45452 1/20 0.43
CA12 O43570 5/20 0.41
CA9 Q16790 5/20 0.41
F2 P00734 2/20 0.39
PRSS1 P07477 2/20 0.39
PRSS2 P07478 2/20 0.39
PRSS3 P35030 2/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
NPC1 O15118 1/20 0.37
GAA P10253 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
SCHEMBL66383 0.92 CA1 (0.42) CA1CA2MMP1MMP2MMP9
SCHEMBL29368060 0.92 CA1 (0.42) CA1CA2MMP1MMP2MMP9
Tribenuron Methyl SCHEMBL2437168 0.89 MEN1 (0.41) CA1CA2MMP1MMP2MMP9
Tribenuron Methyl SCHEMBL30438049 0.83 KMT2A (0.43) CA1CA2CA9MEN1KMT2A
Tribenuron Methyl SCHEMBL54532 0.83 KMT2A (0.43) CA1CA2CA9MEN1KMT2A
Tribenuron Methyl SCHEMBL29400377 0.83 KMT2A (0.43) CA1CA2CA9MEN1KMT2A
SCHEMBL9354201 0.83 CA12 (0.40) CA1CA2MMP1MMP2MMP9
SCHEMBL29396197 0.82 MAPT (0.46) CA1CA2MMP1MMP2MMP9
SCHEMBL66269 0.82 MAPT (0.46) CA1CA2MMP1MMP2MMP9
SCHEMBL30013512 0.82 MAPT (0.46) CA1CA2MMP1MMP2MMP9

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-1221844-A2 SELECTIVE HERBICIDES BASED ON PYRIMIDINE-DERIVATIVES Bayer Aktiengesellschaft (DE) 2002-07-17 EP claimed
WO-2001024633-A2 SELECTIVE HERBICIDES BASED ON PYRIMIDINE-DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2001-04-12 WO claimed