SCHEMBL9711372

SCHEMBL9711372

COc1nc(C)nc(N(C)C(=O)NS(=O)(=O)C2(C)C=CC=CC2C(=O)O)n1.COc1nc(C)nc(N(C)C(=O)NS(=O)(=O)c2ccccc2C(=O)O)n1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.31
CA9 Q16790 1/20 0.31
F2 P00734 1/20 0.31
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
PRSS3 P35030 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP9 P14780 1/20 0.30
MMP8 P22894 1/20 0.30
MMP13 P45452 1/20 0.30

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
SCHEMBL8763376 0.89
SCHEMBL29368060 0.84 CA1 (0.42) CA12CA9F2PRSS1PRSS2
SCHEMBL66383 0.84 CA1 (0.42) CA12CA9F2PRSS1PRSS2
SCHEMBL9394284 0.84 MAPT (0.36) CA12CA9F2PRSS1PRSS2
Tribenuron Methyl SCHEMBL2437168 0.81 MEN1 (0.41) CA12CA9CA1CA2MMP1
Sulfometuron Methyl SCHEMBL9755752 0.78 NPC1 (0.33)
SCHEMBL7693190 0.78 CA1 (0.43) CA12CA9F2PRSS1PRSS2
Tribenuron Methyl SCHEMBL29400377 0.77 KMT2A (0.43) CA9CA1CA2
Tribenuron Methyl SCHEMBL30438049 0.77 KMT2A (0.43) CA9CA1CA2
Tribenuron Methyl SCHEMBL54532 0.77 KMT2A (0.43) CA9CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992022203-A1 SUBSTITUTED PYRIDINE HERBICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-12-23 WO disclosed
WO-1992020684-A1 HERBICIDAL OXATRICYCLIC ETHERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-11-26 WO disclosed
WO-1992009587-A1 HERBICIDAL OXAZINE ETHERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-06-11 WO disclosed
WO-1992009578-A1 SUBSTITUTED FUSED HETEROCYCLIC HERBICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-06-11 WO disclosed