SCHEMBL7435984

SCHEMBL7435984

CC1SC(=O)NN=C1c1ccc2c(c1)C(C)(C)C(=O)N2C

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 12/20 0.65
PDE4B Q07343 12/20 0.65
PDE4C Q08493 12/20 0.65
PDE4D Q08499 12/20 0.65
PDE3B Q13370 14/20 0.63
PDE3A Q14432 14/20 0.63
CREBBP Q92793 1/20 0.44
FBP1 P09467 1/20 0.41
KCNH2 Q12809 1/20 0.39

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
SCHEMBL7431591 0.84 PDE3B (0.58) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7381431 0.84 PDE3B (0.57) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7381427 0.84 PDE3B (0.57) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7376882 0.84 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7429294 0.84 PDE3B (0.57) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7380385 0.82 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7372496 0.81 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7428441 0.80 PDE3B (0.53) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7438382 0.80 PDE3B (0.53) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7376614 0.80 PDE3B (0.53) PDE4APDE4BPDE4CPDE4DPDE3B

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