SCHEMBL9021773

SCHEMBL9021773

CCOc1nc(NC)nc(NC(=O)NS(=O)(=O)c2ccn(C)c2C(=O)OC)n1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 1/20 0.49
NPC1 O15118 1/20 0.49
MAPT P10636 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.42
TP53 P04637 4/20 0.41
POLB P06746 1/20 0.35
GAA P10253 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
SCHEMBL9022081 0.99 ALDH1A1 (0.48) ALDH1A1KDM4ENPC1MAPTSMN1; SMN2
SCHEMBL9701679 0.93 MAPT (0.49) ALDH1A1KDM4ENPC1MAPTSMN1; SMN2
SCHEMBL9075439 0.90 ALDH1A1 (0.48) ALDH1A1KDM4ENPC1MAPTSMN1; SMN2
SCHEMBL9022073 0.83 ALDH1A1 (0.36) ALDH1A1KDM4ENPC1MAPTSMN1; SMN2
Ethametsulfuron Methyl SCHEMBL29512476 0.81 ALDH1A1 (0.59) ALDH1A1KDM4ENPC1MAPTSMN1; SMN2
Ethametsulfuron Methyl SCHEMBL55796 0.81 ALDH1A1 (0.59) ALDH1A1KDM4ENPC1MAPTSMN1; SMN2
Ethametsulfuron Methyl SCHEMBL30116866 0.81 ALDH1A1 (0.59) ALDH1A1KDM4ENPC1MAPTSMN1; SMN2
SCHEMBL9700968 0.80 HTT (0.37) ALDH1A1KDM4ENPC1MAPTSMN1; SMN2
SCHEMBL9022246 0.79 GAA (0.56) ALDH1A1KDM4EMAPTTP53GAA
Ethametsulfuron Methyl SCHEMBL15019468 0.78 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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