SCHEMBL7429218

SCHEMBL7429218

CC1C(=O)Nc2ccc(C3=NNC(=O)SC3)cc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 11/20 0.54
PDE3A Q14432 11/20 0.54
PDE4A P27815 7/20 0.54
PDE4B Q07343 7/20 0.54
PDE4C Q08493 7/20 0.54
PDE4D Q08499 7/20 0.54
PGR P06401 2/20 0.48
BMPR1B O00238 1/20 0.36
BMPR1A P36894 1/20 0.36
TGFBR1 P36897 1/20 0.36
ACVRL1 P37023 1/20 0.36
ACVR1 Q04771 1/20 0.36
DYRK1A Q13627 3/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
NFKB1 P19838 1/20 0.34

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
SCHEMBL7438430 0.84 PDE3B (0.56) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7375542 0.80 PDE3B (0.47) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7485942 0.80 PDE3B (0.61) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7381986 0.78 PDE3B (0.47) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7377238 0.78 PDE3B (0.44) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7427747 0.73 PDE3B (0.74) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10744506 0.73 PDE3B (0.54) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7435511 0.72 PDE3B (0.41) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7271745 0.72 PDE3B (0.54) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL11092584 0.71 PDE4A (0.51) 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