SCHEMBL9821597

SCHEMBL9821597

COC(=O)Oc1cn(-c2ccccn2)nc1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
MAPT P10636 2/20 0.40
TP53 P04637 1/20 0.40
GLA P06280 1/20 0.40
KMT2A Q03164 1/20 0.38
CDK1 P06493 1/20 0.38
CYP1A2 P05177 1/20 0.37
MAP3K5 Q99683 1/20 0.36
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL9821618 0.86 GAA (0.47) GAAMAPTTP53GLAKMT2A
SCHEMBL7798073 0.81 GAA (0.46) GAAMAPTTP53GLAKMT2A
SCHEMBL9371907 0.75 GAA (0.51) GAAMAPTTP53GLAKMT2A
SCHEMBL11002873 0.74 GAA (0.60) GAAMAPTTP53GLAKMT2A
SCHEMBL9522827 0.73 GAA (0.58) GAAMAPTTP53GLAKMT2A
SCHEMBL9821634 0.73 MAPT (0.46) GAAMAPTTP53GLAKMT2A
SCHEMBL9037614 0.72 GAA (0.57) GAAMAPTTP53GLAKMT2A
SCHEMBL9371994 0.72 GAA (0.50) GAAMAPTTP53GLAKMT2A
SCHEMBL6464503 0.72 GAA (0.54) GAAMAPTTP53GLAKMT2A
SCHEMBL9847509 0.72 GAA (0.54) GAAMAPTTP53GLAKMT2A

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
EP-0176304-B1 HERBICIDAL PYRAZOLESULFONAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-06-05 EP claimed