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SCHEMBL3429952

SCHEMBL3429952

COc1nc(C)nc(N(C)C(=O)NS(=O)(=O)c2ccccc2C(=O)O)n1.COc1nc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)O)n1.COc1nc(C)nc(NC(=O)NS(=O)(=O)c2ccsc2C(=O)O)n1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ EDNRA P25101 6/20 0.34
▸ EDNRB P24530 1/20 0.34
▸ CDK1 P06493 1/20 0.33
▸ FABP4 P15090 1/20 0.32

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
SCHEMBL3429264 1.00 MAPT (0.36) MAPTKDM4ENPC1ALDH1A1EDNRA
Tribenuron Methyl SCHEMBL4444686 0.91 EDNRA (0.36) MAPTKDM4ENPC1ALDH1A1EDNRA
Tribenuron Methyl SCHEMBL18489666 0.91 EDNRA (0.36) MAPTKDM4ENPC1ALDH1A1EDNRA
SCHEMBL9715135 0.86 EDNRA (0.43) MAPTKDM4ENPC1ALDH1A1EDNRA
SCHEMBL29397121 0.86 EDNRA (0.43) MAPTKDM4ENPC1ALDH1A1EDNRA
SCHEMBL65522 0.86 EDNRA (0.43) MAPTKDM4ENPC1ALDH1A1EDNRA
Ammonia Solution, Strong SCHEMBL9536160 0.85 EDNRA (0.42) MAPTEDNRAFABP4
SCHEMBL66383 0.85 CA1 (0.42) MAPT
SCHEMBL29368060 0.85 CA1 (0.42) MAPT
SCHEMBL66269 0.84 MAPT (0.46) MAPTKDM4ENPC1ALDH1A1

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-2254418-A2 METHOD OF CONTROLLING UNWANTED VEGETATION Arysta LifeScience North America, LLC (US) 2010-12-01 — — EP disclosed
WO-2009102689-A2 METHOD OF CONTROLLING UNWANTED VEGETATION ARYSTA LIFESCIENCE NORTH AMERICA, LLC (US) 2009-08-20 — — WO disclosed
US-20090203526-A1 METHOD OF CONTROLLING UNWANTED VEGETATION ARYSTA LIFESCIENCE NORTH AMERICA, LLC 2009-08-13 — — US disclosed