SCHEMBL9022267

SCHEMBL9022267

COc1nc(C)nc(NC(=O)NS(=O)(=O)c2c(C(=O)OC(C)C)ccn2C)n1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.35
CDK1 P06493 1/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
ALOX15 P16050 1/20 0.30

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 0.91 GAA (0.38) GAACDK1KDM4ENPC1ALDH1A1
SCHEMBL9021912 0.87 GAA (0.38) GAACDK1KDM4ENPC1ALDH1A1
SCHEMBL10506658 0.82 NPC1 (0.42) GAACDK1KDM4ENPC1ALDH1A1
SCHEMBL9021875 0.79 GAA (0.36) GAACDK1KDM4ENPC1ALDH1A1
SCHEMBL8530141 0.78 ALDH1A1 (0.40) GAACDK1KDM4ENPC1ALDH1A1
SCHEMBL10508148 0.75 NPC1 (0.45) GAACDK1KDM4ENPC1ALDH1A1
SCHEMBL11177162 0.74 NPC1 (0.43) GAACDK1KDM4ENPC1ALDH1A1
SCHEMBL9022273 0.74 GAA (0.34) GAAKDM4ENPC1ALDH1A1MAPT
SCHEMBL9037756 0.74 GAA (0.37) GAACDK1KDM4ENPC1ALDH1A1
SCHEMBL10755063 0.72 GAA (0.39) GAACDK1KDM4ENPC1ALDH1A1

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-0546082-B1 HERBICIDAL PYRROLESULFONYLUREAS DU PONT (US) 1996-12-18 EP claimed
EP-0546082-A1 HERBICIDAL PYRROLESULFONYLUREAS. DU PONT (US) 1993-06-16 EP claimed
WO-1992004319-A1 HERBICIDAL PYRROLESULFONYLUREAS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-03-19 WO claimed