SCHEMBL7328872

SCHEMBL7328872

CC(C)(C)OC(=O)N(c1ccncc1)c1ccc(O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MT-CO2 P00403 1/20 0.41
F2 P00734 4/20 0.36
MIF P14174 1/20 0.36
GSK3B P49841 2/20 0.36
CDC7 O00311 1/20 0.36
PLK4 O00444 1/20 0.36
DAPK3 O43293 1/20 0.36
ROCK2 O75116 1/20 0.36
CHEK2 O96017 1/20 0.36
PIM1 P11309 1/20 0.36
FLT4 P35916 1/20 0.36
KDR P35968 1/20 0.36
GSK3A P49840 1/20 0.36
RPS6KA3 P51812 1/20 0.36
PRKX P51817 1/20 0.36
PLK1 P53350 1/20 0.36
CSNK1G2 P78368 1/20 0.36
PRKCZ Q05513 1/20 0.36
ROCK1 Q13464 1/20 0.36
PRKG1 Q13976 1/20 0.36

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
SCHEMBL30073325 0.86 F2 (0.47) MT-CO2F2GSK3BPAX8GAA
SCHEMBL15948302 0.79 F2 (0.38) MT-CO2F2GSK3BCDC7PLK4
SCHEMBL481946 0.77 PAX8 (0.49) F2CYP17A1PAX8LMNAMAPT
SCHEMBL28969393 0.77 F2 (0.39) MT-CO2F2GSK3BCDC7PLK4
SCHEMBL21401590 0.76 MT-CO2 (0.47) MT-CO2GSK3BPAX8LMNA
SCHEMBL30416986 0.76 F2 (0.38) MT-CO2F2GSK3BCDC7PLK4
Potassium SCHEMBL30601778 0.76 PAX8 (0.48) F2CYP17A1PAX8LMNAMAPT
SCHEMBL19998349 0.75 MT-CO2 (0.46) MT-CO2GSK3BPAX8LMNAMAPT
SCHEMBL19998347 0.75 MT-CO2 (0.46) MT-CO2GSK3BPAX8LMNAMAPT
SCHEMBL3364970 0.75 PAX8 (0.50) MT-CO2MIFPAX8LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0691959-B1 HETEROCYCLIC DERIVATIVES AS PLATELET AGGREGATION INHIBITORS ZENECA LTD (GB) 1998-07-22 EP disclosed
EP-0825184-A1 Heterocyclic derivatives as platelet aggregation inhibitors ZENECA LIMITED (GB) 1998-02-25 EP disclosed
US-5652242-A 3-METHYL-4-(4-(4-(4-PYRIDYL)PIPERAZIN-1-YL)PHENOXY)BURYIC ACID, AMIDE OR ESTER; INHIBITORS OF BINDING OF FIBRINOGEN TO GLYCOPROTEIN ZENECA LIMITED (GB) 1997-07-29 US disclosed
US-5563141-A INHIBIT CELL ADHESION FOR EXAMPLE, PLATELET AGGRE GATION ZENECA LIMITED (GB) 1996-10-08 US disclosed
US-5556977-A ANTIAGGLOMERANTS FOR CELLS, ANTICOAGULANTS, ANTIISCHEMIC AGENTS USING PYRIDINYLPIPERAZINE DERIVATIVES ZENECA LIMITED (GB) 1996-09-17 US disclosed
CN-1120334-A Heterocyclic derivatives as platelet aggregation inhibitors ZENECA LTD (GB) 1996-04-10 CN disclosed
EP-0691959-A1 HETEROCYCLIC DERIVATIVES AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1996-01-17 EP disclosed
EP-0690847-A1 HETEROCYCLIC COMPOUNDS AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1996-01-10 EP disclosed
WO-1994022835-A2 HETEROCYCLIC COMPOUNDS AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1994-10-13 WO disclosed
WO-1994022834-A1 HETEROCYCLIC DERIVATIVES AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1994-10-13 WO disclosed