SCHEMBL7428391

SCHEMBL7428391

CSC1(C)C(=O)Nc2ccc(C(=O)CBr)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
USP2 O75604 2/20 0.38
F2 P00734 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GSK3B P49841 5/20 0.38
PTPN1 P18031 3/20 0.38
CBX7 O95931 2/20 0.37
CDYL Q9Y232 2/20 0.37
CDYL2 Q8N8U2 1/20 0.37
CDY1; CDY1B Q9Y6F8 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PGR P06401 1/20 0.35

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
SCHEMBL7427902 0.83 PGR (0.50) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7307647 0.74 MAPK14 (0.52) GSK3BPTPN1SMN1; SMN2ALDH1A1PGR
SCHEMBL12467513 0.74 HDAC6 (0.53) USP2F2L3MBTL1GSK3BPTPN1
SCHEMBL24427943 0.71 ALDH1A1 (0.53) PDE3BPDE3AUSP2F2L3MBTL1
SCHEMBL7379550 0.70 PGR (0.51) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL31117105 0.70 PGR (0.51) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL5680486 0.69 PGR (0.50) PDE3BPDE3AUSP2F2L3MBTL1
SCHEMBL7836579 0.68 PDK2 (0.60) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL507553 0.67 PGR (0.48) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL12620633 0.66 CYP3A4 (0.49) GSK3BPTPN1ALDH1A1

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
US-4933336-A Thiadiazinone, oxadiazinone and triazinone derivatives, and their use for treating acute or chronic heart disease LABORATOIRES SOBIO S.A. (FR) 1990-06-12 US disclosed
EP-0303418-A2 Substituted indolones, useful in the treatment of heart or asthmatic diseases SMITHKLINE BEECHAM LABORATOIRES PHARMACEUTIQUES (FR) 1989-02-15 EP disclosed