SCHEMBL7329205

SCHEMBL7329205

COC(=O)COc1c(Cl)cc(C(=O)CBr)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
KDM4E B2RXH2 3/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 3/20 0.43
GAA P10253 2/20 0.43
GSK3B P49841 2/20 0.39
PLAU P00749 1/20 0.39
PTGS2 P35354 1/20 0.38
ACLY P53396 1/20 0.37
HPGD P15428 2/20 0.37
MAPK1 P28482 1/20 0.37
TPMT P51580 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL7334329 0.83 LMNA (0.54) LMNAKDM4EKMT2AALDH1A1GAA
SCHEMBL7433745 0.80 LMNA (0.59) LMNAKDM4EKMT2AALDH1A1GAA
SCHEMBL7406686 0.80 GSK3B (0.46) LMNAKDM4EKMT2AALDH1A1GAA
SCHEMBL7330110 0.79 VCAM1 (0.39) LMNAKDM4EKMT2AGSK3BPTGS2
SCHEMBL6812567 0.79 LMNA (0.50) LMNAKDM4EKMT2AALDH1A1GAA
SCHEMBL6815943 0.78 LMNA (0.56) LMNAKDM4EKMT2AALDH1A1GAA
SCHEMBL1188279 0.75 ALDH1A1 (0.60) LMNAKDM4EKMT2AALDH1A1GAA
SCHEMBL5109846 0.74 KMT2A (0.65) LMNAKDM4EKMT2AALDH1A1GAA
SCHEMBL8686301 0.74 LMNA (0.68) LMNAKDM4EALDH1A1GAAHPGD
SCHEMBL11552737 0.73 GSK3B (0.42) KDM4EKMT2AALDH1A1GAAGSK3B

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 12 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
US-5753659-A ANTICOAGULANTS FOR BLOOD DISORDER, CARDIOVASCULAR DISORDER, THROMBOSIS, ZENECA LIMITED (GB) 1998-05-19 US disclosed
US-5750754-A TERTIARY BUTYL 3-METHYL-4-SUBSTITUTED BUTYRATE; CHEMICAL INTERMEDIATES FOR ANTICAOGULANT DRUGS ZENECA LIMITED (GB) 1998-05-12 US disclosed
US-5728701-A INHIBIT PLATELET AGGREGATION ZENECA LIMITED (GB) 1998-03-17 US 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
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