SCHEMBL7381986

SCHEMBL7381986

O=C1NN=C(c2ccc3c(c2)C(Sc2ccccc2)C(=O)N3)CS1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 4/20 0.47
PDE3A Q14432 4/20 0.47
PDE4A P27815 2/20 0.47
PDE4B Q07343 2/20 0.47
PDE4C Q08493 2/20 0.47
PDE4D Q08499 2/20 0.47
DYRK1A Q13627 12/20 0.36
NPC1 O15118 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
RAB9A P51151 2/20 0.33
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
BRD4 O60885 1/20 0.32
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 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
SCHEMBL7438430 0.84 PDE3B (0.56) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7429218 0.78 PDE3B (0.54) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7375542 0.74 PDE3B (0.47) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7377238 0.72 PDE3B (0.44) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL1325249 0.70 AXL (0.55) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL11094190 0.69 PDE3B (0.49) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10744506 0.67 PDE3B (0.54) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL31116861 0.67 PDE3B (0.51) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7271745 0.66 PDE3B (0.54) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7427747 0.65 PDE3B (0.74) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0381374-A1 Phosphodiesterase inhibitors LES LABORATOIRES BEECHAM S.A. (FR) 1990-08-08 EP claimed
EP-0381374-A1 Phosphodiesterase inhibitors LES LABORATOIRES BEECHAM S.A. (FR) 1990-08-08 EP disclosed