SCHEMBL7273763

SCHEMBL7273763

COc1ccc(NN=C2C(=O)Nc3ccc(C4=NNC(=O)SC4C)cc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 8/20 0.46
PDE3A Q14432 8/20 0.46
PDE4A P27815 7/20 0.46
PDE4B Q07343 7/20 0.46
PDE4C Q08493 7/20 0.46
PDE4D Q08499 7/20 0.46
KDR P35968 1/20 0.39
LRRK2 Q5S007 4/20 0.38
ALDH1A1 P00352 3/20 0.37
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
BRD4 O60885 1/20 0.36
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
TTR P02766 1/20 0.35
GAA P10253 1/20 0.35
KCNH2 Q12809 1/20 0.35
FBP1 P09467 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
SCHEMBL7276028 0.90 PDE3B (0.48) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7276125 0.89 PDE3B (0.48) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7269474 0.89 PDE4A (0.48) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7267327 0.89 PDE3B (0.49) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7267008 0.87 PDE3B (0.46) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7267004 0.87 PDE3B (0.46) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9876327 0.86 PDE3B (0.46) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9876328 0.86 PDE3B (0.46) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7269335 0.86 PDE3B (0.46) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9879907 0.85 PDE3B (0.46) 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 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