SCHEMBL7606199

SCHEMBL7606199

CS(=O)(=O)c1ccc(Oc2cccc(C(=O)Nc3ccc(F)cc3)n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.55
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
KDM4E B2RXH2 1/20 0.50
GAA P10253 1/20 0.50
KDR P35968 1/20 0.47
SCN9A Q15858 2/20 0.46
PTGS2 P35354 2/20 0.46
PTGS1 P23219 1/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
P2RX3 P56373 2/20 0.44
ENPP1 P22413 2/20 0.44
ENPP3 O14638 1/20 0.44
ENPP2 Q13822 1/20 0.44
GRM4 Q14833 1/20 0.43

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
SCHEMBL7612234 0.83 MAPT (0.56) MAPTMEN1KMT2AKDM4EGAA
SCHEMBL27576744 0.82 MAPT (0.54) MAPTMEN1KMT2AKDM4EGAA
SCHEMBL17049452 0.76 SCN9A (0.68) SCN9A
SCHEMBL29497315 0.76 MAPT (0.65) MAPTKMT2AKDM4EGAAKDR
SCHEMBL54805 0.76 MAPT (0.65) MAPTKMT2AKDM4EGAAKDR
SCHEMBL9017227 0.76 MAPT (0.52) MAPTMEN1KMT2AKDM4EGAA
SCHEMBL29732862 0.76 MAPT (0.65) MAPTKMT2AKDM4EGAAKDR
SCHEMBL4932787 0.75 POLB (0.68) MAPTMEN1KMT2AKDM4EGAA
SCHEMBL8725049 0.74 MAPT (0.53) MAPTMEN1KMT2AKDM4EGAA
SCHEMBL7964413 0.74 MAPT (0.50) MAPTMEN1KMT2AKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1207154-A1 Herbicidal carboxamide derivatives BASF AKTIENGESELLSCHAFT (DE) 2002-05-22 EP disclosed
EP-0447004-B1 Herbicidal carboxamide derivatives SHELL INT RESEARCH (NL) 1998-01-28 EP disclosed
EP-0806414-A1 Intermediates for herbicidal carboxamide derivatives SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1997-11-12 EP disclosed
US-5294597-A 2-((Halophenyl)amido-)m,6-((halophenyl)oxy-)pyridines SHELL RESEARCH LIMITED (GB) 1994-03-15 US disclosed
EP-0447004-A2 Herbicidal carboxamide derivatives SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1991-09-18 EP disclosed