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SCHEMBL18894497

SCHEMBL18894497

COc1cc(OC)nc(NC(=O)NS(=O)(=O)Cc2ccccc2C(=O)O)n1.COc1cc(OC)nc(NC(=O)NS(=O)(=O)N(C)S(C)(=O)=O)n1.COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2c(-c3nnn(C)n3)cnn2C)n1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.36
▸ CDK1 P06493 1/20 0.34
▸ TP53 P04637 1/20 0.32
▸ GLA P06280 1/20 0.32
▸ MAPT P10636 1/20 0.32

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
Bensulfuron Methyl SCHEMBL8569580 0.89 GAA (0.40) GAACDK1TP53GLAMAPT
SCHEMBL28087093 0.88 GAA (0.43) GAACDK1TP53GLAMAPT
SCHEMBL55386 0.81 GAA (0.49) GAACDK1TP53GLAMAPT
SCHEMBL9878291 0.77 GAA (0.44) GAACDK1MAPT
Chlorimuron Ethyl SCHEMBL28087163 0.77 GAA (0.37) GAACDK1MAPT
SCHEMBL29386841 0.76 MAPT (0.51) GAACDK1TP53GLAMAPT
SCHEMBL20834 0.76 MAPT (0.51) GAACDK1TP53GLAMAPT
SCHEMBL6666879 0.73 GAA (0.42) GAACDK1TP53GLAMAPT
Bensulfuron Methyl SCHEMBL15019924 0.73 MAPT (0.48) GAACDK1TP53GLAMAPT
SCHEMBL3219602 0.73 GAA (0.43) GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3380478-A1 ESTER ACC INHIBITORS AND USES THEREOF Gilead Apollo, LLC (US) 2018-10-03 — — EP disclosed
WO-2017091602-A1 ESTER ACC INHIBITORS AND USES THEREOF GILEAD APOLLO, LLC (US) 2017-06-01 — — WO disclosed