SCHEMBL7435511

SCHEMBL7435511

CC(=O)N1C(=O)C(C)c2cc(C3=NNC(=O)SC3)ccc21

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 8/20 0.41
PDE3A Q14432 8/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
DYRK1A Q13627 8/20 0.32
KDM4E B2RXH2 4/20 0.31
ALDH1A1 P00352 4/20 0.31
MAPT P10636 4/20 0.31
KMT2A Q03164 2/20 0.31
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31

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
SCHEMBL7429218 0.72 PDE3B (0.54) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10777332 0.65 KDM4E (0.59) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7798497 0.65 PDE4B (0.62) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7429179 0.63 GSK3B (0.38) ALDH1A1MAPT
SCHEMBL8477225 0.63 MAPT (0.52) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL1325249 0.62 AXL (0.55) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7265442 0.61 PDE3B (0.45) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10430050 0.61 MAPT (0.44) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10744506 0.61 PDE3B (0.54) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL3650037 0.60 PDE3B (0.44) PDE3BPDE3APDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0303418-A2 Substituted indolones, useful in the treatment of heart or asthmatic diseases SMITHKLINE BEECHAM LABORATOIRES PHARMACEUTIQUES (FR) 1989-02-15 EP claimed
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