SCHEMBL7327922

SCHEMBL7327922

COC(=O)CNC(=O)COc1ccc(C(=O)CBr)cc1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 4/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
CYP3A4 P08684 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL2009866 0.85 GSK3B (0.64) GSK3BSMN1; SMN2MAPTNPC1RAB9A
SCHEMBL7327630 0.84 L3MBTL1 (0.51) SMN1; SMN2MAPTALDH1A1LMNAMEN1
SCHEMBL11162047 0.79 KMT2A (0.61) SMN1; SMN2NPC1RAB9ACYP1A2MEN1
SCHEMBL458062 0.77 GSK3B (0.59) GSK3BSMN1; SMN2MAPTALDH1A1MEN1
SCHEMBL7334696 0.77 KMT2A (0.71) SMN1; SMN2NPC1ALDH1A1LMNAMEN1
SCHEMBL7332590 0.75 GSK3B (0.54) GSK3BSMN1; SMN2MAPTNPC1RAB9A
SCHEMBL28685529 0.75 GSK3B (0.58) GSK3BMAPTNPC1RAB9AALDH1A1
SCHEMBL14821470 0.75 LMNA (0.46) SMN1; SMN2MAPTNPC1ALDH1A1LMNA
SCHEMBL14821487 0.75 LMNA (0.46) SMN1; SMN2MAPTNPC1ALDH1A1LMNA
SCHEMBL2603391 0.74 GSK3B (0.57) GSK3BMAPTNPC1L3MBTL1HTT

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