SCHEMBL9819170

SCHEMBL9819170

CCOc1nc(NC)nc(NC(=O)NS(=O)(=O)c2cccc3c2nnn3C)n1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
KDM4E B2RXH2 2/20 0.52
NPC1 O15118 1/20 0.52
MAPT P10636 3/20 0.50
SMN1; SMN2 Q16637 1/20 0.44
TP53 P04637 4/20 0.42
CCKBR P32239 1/20 0.38
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35
FBP1 P09467 1/20 0.34

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
SCHEMBL9819450 0.80 CCKBR (0.39) ALDH1A1KDM4ENPC1MAPTSMN1; SMN2
SCHEMBL127064 0.78 MAPT (0.61) ALDH1A1KDM4ENPC1MAPTSMN1; SMN2
SCHEMBL29376940 0.78 MAPT (0.61) ALDH1A1KDM4ENPC1MAPTSMN1; SMN2
SCHEMBL30534024 0.78 MAPT (0.61) ALDH1A1KDM4ENPC1MAPTSMN1; SMN2
Ethametsulfuron Methyl SCHEMBL55796 0.77 ALDH1A1 (0.59) ALDH1A1KDM4ENPC1MAPTSMN1; SMN2
Ethametsulfuron Methyl SCHEMBL30116866 0.77 ALDH1A1 (0.59) ALDH1A1KDM4ENPC1MAPTSMN1; SMN2
Ethametsulfuron Methyl SCHEMBL29512476 0.77 ALDH1A1 (0.59) ALDH1A1KDM4ENPC1MAPTSMN1; SMN2
SCHEMBL10616900 0.76 ALDH1A1 (0.58) ALDH1A1KDM4ENPC1MAPTSMN1; SMN2
SCHEMBL9021773 0.75 ALDH1A1 (0.49) ALDH1A1KDM4ENPC1MAPTSMN1; SMN2
Ethametsulfuron Methyl SCHEMBL15019468 0.74 MAPT (0.56) ALDH1A1KDM4ENPC1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0404758-A1 HERBICIDAL SULFONAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-01-02 EP claimed
EP-0404758-A4 HERBICIDAL SULFONAMIDES. DU PONT (US) 1989-08-30 EP claimed
WO-1987007114-A1 HERBICIDAL SULFONAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1987-12-03 WO claimed
EP-0404758-A1 HERBICIDAL SULFONAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-01-02 EP disclosed
EP-0404758-A4 HERBICIDAL SULFONAMIDES. DU PONT (US) 1989-08-30 EP disclosed
US-4854962-A Herbicidal sulfonamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1989-08-08 US disclosed
US-4746356-A Herbicidal sulfonamides E. I. DUPONT DE NEMOURS AND COMPANY (US) 1988-05-24 US disclosed
WO-1987007114-A1 HERBICIDAL SULFONAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1987-12-03 WO disclosed