SCHEMBL9700968

SCHEMBL9700968

CCOc1nc(NC)nc(NC(=O)N(c2ccccc2)S(=O)(=O)c2ccn(C)c2C(=O)OC)n1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.37
MAPT P10636 2/20 0.37
TP53 P04637 4/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PTGES O14684 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
GAA P10253 1/20 0.32
PKM P14618 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL9021773 0.80 ALDH1A1 (0.49) MAPTTP53ALDH1A1KDM4ENPC1
SCHEMBL9022081 0.79 ALDH1A1 (0.48) MAPTTP53ALDH1A1KDM4ENPC1
SCHEMBL9022073 0.79 ALDH1A1 (0.36) HTTMAPTTP53ALDH1A1KDM4E
SCHEMBL9701679 0.74 MAPT (0.49) HTTMAPTTP53ALDH1A1KDM4E
SCHEMBL9075439 0.70 ALDH1A1 (0.48) MAPTTP53ALDH1A1KDM4ENPC1
Ethametsulfuron Methyl SCHEMBL30116866 0.68 ALDH1A1 (0.59) MAPTTP53ALDH1A1KDM4ENPC1
Ethametsulfuron Methyl SCHEMBL55796 0.68 ALDH1A1 (0.59) MAPTTP53ALDH1A1KDM4ENPC1
Ethametsulfuron Methyl SCHEMBL29512476 0.68 ALDH1A1 (0.59) MAPTTP53ALDH1A1KDM4ENPC1
Ethametsulfuron Methyl SCHEMBL15019468 0.67 MAPT (0.56) MAPTTP53ALDH1A1KDM4ENPC1
SCHEMBL8795091 0.66 ALDH1A1 (0.44) HTTMAPTTP53ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992004319-A1 HERBICIDAL PYRROLESULFONYLUREAS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-03-19 WO disclosed