SCHEMBL7269474

SCHEMBL7269474

CC1SC(=O)NN=C1c1ccc2c(c1)C(=NNc1ccc(Cl)cc1)C(=O)N2

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 6/20 0.48
PDE4B Q07343 6/20 0.48
PDE4C Q08493 6/20 0.48
PDE4D Q08499 6/20 0.48
PDE3B Q13370 6/20 0.48
PDE3A Q14432 6/20 0.48
KDR P35968 5/20 0.39
MAP3K7 O43318 1/20 0.39
TAB1 Q15750 1/20 0.39
LRRK2 Q5S007 3/20 0.37
ALDH1A1 P00352 1/20 0.35
FBP1 P09467 1/20 0.35
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
TGM2 P21980 1/20 0.33
CES1 P23141 1/20 0.33

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
SCHEMBL7276028 0.91 PDE3B (0.48) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9879907 0.91 PDE3B (0.46) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7276125 0.91 PDE3B (0.48) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7267327 0.90 PDE3B (0.49) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7273763 0.89 PDE3B (0.46) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7267004 0.89 PDE3B (0.46) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7267008 0.89 PDE3B (0.46) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9876327 0.88 PDE3B (0.46) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9876328 0.88 PDE3B (0.46) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7269335 0.88 PDE3B (0.46) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5051417-A Indolythiadiazines for treating heart failure LES LABORATOIRES BEECHAM S.A. (FR) 1991-09-24 US claimed
EP-0351213-A2 2-Indolones substituted in 5 by a cyclic hydrazide radical, their preparation and their use in cardio-active medicaments LES LABORATOIRES BEECHAM S.A. (FR) 1990-01-17 EP claimed
US-5051417-A Indolythiadiazines for treating heart failure LES LABORATOIRES BEECHAM S.A. (FR) 1991-09-24 US disclosed
EP-0351213-A2 2-Indolones substituted in 5 by a cyclic hydrazide radical, their preparation and their use in cardio-active medicaments LES LABORATOIRES BEECHAM S.A. (FR) 1990-01-17 EP disclosed