SCHEMBL11097648

SCHEMBL11097648

COc1nc(C)nc(NC(=O)NS(=O)(=O)c2cscc2C(=O)O)n1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.37
MAPT P10636 1/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
CDK1 P06493 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.32
PTPN1 P18031 1/20 0.32
KMT2A Q03164 1/20 0.31
ALOX15 P16050 1/20 0.31

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
SCHEMBL11100023 0.93 GAA (0.40) GAAMAPTALDH1A1KDM4ENPC1
SCHEMBL11099200 0.91 GAA (0.37) GAAMAPTALDH1A1KDM4ENPC1
SCHEMBL11102242 0.90 PTPN1 (0.36) GAAMAPTALDH1A1KDM4ENPC1
SCHEMBL10755902 0.86 GAA (0.38) GAAMAPTALDH1A1KDM4ENPC1
SCHEMBL11101777 0.84 GAA (0.40) GAAMAPTALDH1A1KDM4ENPC1
SCHEMBL29396197 0.83 MAPT (0.46) GAAMAPTALDH1A1KDM4ENPC1
SCHEMBL66269 0.83 MAPT (0.46) GAAMAPTALDH1A1KDM4ENPC1
SCHEMBL30013512 0.83 MAPT (0.46) GAAMAPTALDH1A1KDM4ENPC1
SCHEMBL11100017 0.83 GAA (0.55) GAAMAPTALDH1A1KDM4ECDK1
SCHEMBL11104340 0.83 GAA (0.38) GAAMAPTALDH1A1KDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0030142-B1 HERBICIDAL UREAS, PREPARATION, COMPOSITIONS AND USE THEREOF E.I. DU PONT DE NEMOURS AND COMPANY (US) 1984-12-05 EP claimed
EP-0030142-A2 Herbicidal ureas, preparation, compositions and use thereof E.I. DU PONT DE NEMOURS AND COMPANY (US) 1981-06-10 EP claimed
EP-0030142-B1 HERBICIDAL UREAS, PREPARATION, COMPOSITIONS AND USE THEREOF E.I. DU PONT DE NEMOURS AND COMPANY (US) 1984-12-05 EP disclosed
EP-0030142-A2 Herbicidal ureas, preparation, compositions and use thereof E.I. DU PONT DE NEMOURS AND COMPANY (US) 1981-06-10 EP disclosed