SCHEMBL8530141

SCHEMBL8530141

CCS(=O)(=O)c1c(S(=O)(=O)NC(=O)Nc2nc(C)nc(OC)n2)ccn1C

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.39
GAA P10253 2/20 0.37
CDK1 P06493 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TP53 P04637 1/20 0.33
POLB P06746 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
SCHEMBL9074375 0.84 GAA (0.38) ALDH1A1KDM4ENPC1MAPTGAA
SCHEMBL9021912 0.82 GAA (0.38) ALDH1A1KDM4ENPC1MAPTGAA
SCHEMBL9021880 0.79 ALDH1A1 (0.50) ALDH1A1KDM4ENPC1MAPTGAA
SCHEMBL10566380 0.78 ALDH1A1 (0.48) ALDH1A1KDM4ENPC1MAPTGAA
SCHEMBL26761188 0.78 ALDH1A1 (0.53) ALDH1A1KDM4ENPC1MAPTGAA
SCHEMBL10738157 0.78 KDM4E (0.38) ALDH1A1KDM4ENPC1MAPTGAA
SCHEMBL9022267 0.78 GAA (0.35) ALDH1A1KDM4ENPC1MAPTGAA
SCHEMBL9021875 0.77 GAA (0.36) ALDH1A1KDM4ENPC1MAPTGAA
SCHEMBL19034718 0.76 FBP1 (0.48) ALDH1A1KDM4ENPC1MAPTGAA
SCHEMBL10806441 0.76 ALDH1A1 (0.46) ALDH1A1KDM4ENPC1MAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5723410-A PLANT GROWTH REGULATORS AND HERBICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1998-03-03 US disclosed
EP-0546082-B1 HERBICIDAL PYRROLESULFONYLUREAS DU PONT (US) 1996-12-18 EP disclosed
US-5585328-A PLANT GROWTH REGULATORS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1996-12-17 US disclosed
US-5472933-A Plant growth regulators E. I. DU PONT DE NEMOURS AND COMPANY (US) 1995-12-05 US disclosed
EP-0546082-A1 HERBICIDAL PYRROLESULFONYLUREAS. DU PONT (US) 1993-06-16 EP disclosed
WO-1992004319-A1 HERBICIDAL PYRROLESULFONYLUREAS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-03-19 WO disclosed