SCHEMBL7056902

SCHEMBL7056902

C[N]c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.52
PTGS2 P35354 7/20 0.43
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
GRIN2B Q13224 1/20 0.40
CA12 O43570 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL2376239 0.81 ENPP2 (0.72) ENPP2PTGS2
SCHEMBL5316865 0.80 ENPP2 (0.52) ENPP2PTGS2MAPTSMN1; SMN2
SCHEMBL5827867 0.78 CA2 (0.63) PTGS2MAPTCA12CA2CA9
SCHEMBL1807437 0.78 POLB (0.57) MAPTSMN1; SMN2CA12CA2CA9
SCHEMBL8328143 0.78 ENPP2 (0.50) ENPP2PTGS2MAPTSMN1; SMN2
SCHEMBL8328140 0.78 ENPP2 (0.50) ENPP2PTGS2MAPTSMN1; SMN2
SCHEMBL3044709 0.75 CYP3A4 (0.48) ENPP2PTGS2MAPTSMN1; SMN2CA2
SCHEMBL1696969 0.74 MAPT (0.39) MAPTSMN1; SMN2
SCHEMBL55092 0.74 TSHR (0.62) ENPP2PTGS2SMN1; SMN2CA12CA2
SCHEMBL7049487 0.73 NOS1 (0.44) SMN1; SMN2CA12CA2CA9

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-0882715-B1 NOVEL N-(UNSUBSTITUTED OR SUBSTITUTED)-4-SUBSTITUTED-6-(UNSUBSTITUTED OR SUBSTITUTED)PHENOXY-2-PYRIDINECARBOXAMIDES OR THIOCARBOXAMIDES, PROCESSES FOR PRODUCING THE SAME, AND HERBICIDES KUREHA CHEMICAL IND CO LTD (JP) 2003-04-23 EP disclosed
US-6339045-B1 CAN BE USED IN A SMALL AMOUNT, SHOWING A GOOD SELECTIVITY BETWEEN CROP AND WEED, AND CAUSING NO PHYTOTOXICITY KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2002-01-15 US disclosed
EP-0882715-A1 NOVEL N-(UNSUBSTITUTED OR SUBSTITUTED)-4-SUBSTITUTED-6-(UNSUBSTITUTED OR SUBSTITUTED)PHENOXY-2-PYRIDINECARBOXAMIDES OR THIOCARBOXAMIDES, PROCESSES FOR PRODUCING THE SAME, AND HERBICIDES KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1998-12-09 EP disclosed