SCHEMBL7016000

SCHEMBL7016000

O=c1c2sccc2nc2n1C[C@H](CS)S2

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 15/20 0.40
PDE4B Q07343 8/20 0.39
L3MBTL1 Q9Y468 1/20 0.36
PDE7B Q9NP56 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
POLB P06746 1/20 0.35
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
PKM P14618 1/20 0.35
HTT P42858 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
SCHEMBL7015998 1.00 PDE7A (0.40) PDE7APDE4BL3MBTL1PDE7BPDE4A
SCHEMBL7094428 0.87 PDE7A (0.41) PDE7APDE4BL3MBTL1PDE7BPDE4A
SCHEMBL7094430 0.87 PDE7A (0.41) PDE7APDE4BL3MBTL1PDE7BPDE4A
SCHEMBL7097767 0.87 PDE7A (0.40) PDE7APDE4BL3MBTL1PDE7BPDE4A
SCHEMBL7097766 0.87 PDE7A (0.40) PDE7APDE4BL3MBTL1PDE7BPDE4A
SCHEMBL6804689 0.77 ALDH1A1 (0.49) L3MBTL1POLBALDH1A1SMN1; SMN2HTT
SCHEMBL7021046 0.74 PIK3CD (0.39) ALDH1A1
SCHEMBL6804062 0.73 KMT2A (0.40) POLBSMN1; SMN2HTT
SCHEMBL6804059 0.73 KMT2A (0.40) POLBSMN1; SMN2HTT
SCHEMBL7097210 0.72 PDE7A (0.39) PDE7APDE4BL3MBTL1PDE7BPDE4A

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
WO-2003089441-A1 TRICYCLIC MERCAPTANS, METHOD FOR THEIR PRODUCTION AND THE USE THEREOF AS MMP INHIBITORS IBFB GMBH (DE) 2003-10-30 WO claimed
WO-2003089441-A1 TRICYCLIC MERCAPTANS, METHOD FOR THEIR PRODUCTION AND THE USE THEREOF AS MMP INHIBITORS IBFB GMBH (DE) 2003-10-30 WO disclosed
WO-2003089416-A1 SUBSTITUTED PYRIMIDINE-2,4(1H,3H)-DIONES FOR USE AS MATRIX METALLOPROTEINASE (MMP) INHIBITORS IBFB GMBH (DE) 2003-10-30 WO disclosed
EP-1357114-A1 Substituted pyrimidin-2,4(1H,3H)-diones as inhibitors of Matrix Metalloproteinases (MMP) IBFB GmbH Privates Institut für biomedizinische Forschung und Beratung (DE) 2003-10-29 EP disclosed