SCHEMBL7097766

SCHEMBL7097766

O=c1c2sccc2nc2n1CC(CBr)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
SCHEMBL7097767 1.00 PDE7A (0.40) PDE7APDE4BL3MBTL1PDE7BPDE4A
SCHEMBL7016000 0.87 PDE7A (0.40) PDE7APDE4BL3MBTL1PDE7BPDE4A
SCHEMBL7015998 0.87 PDE7A (0.40) PDE7APDE4BL3MBTL1PDE7BPDE4A
SCHEMBL6703572 0.77 KDM4E (0.54) L3MBTL1POLBALDH1A1SMN1; SMN2HTT
SCHEMBL6703570 0.77 KDM4E (0.54) L3MBTL1POLBALDH1A1SMN1; SMN2HTT
SCHEMBL7094428 0.77 PDE7A (0.41) PDE7APDE4BL3MBTL1PDE7BPDE4A
SCHEMBL7094430 0.77 PDE7A (0.41) PDE7APDE4BL3MBTL1PDE7BPDE4A
SCHEMBL7000926 0.73 CYP1A1 (0.39) POLBALDH1A1SMN1; SMN2HTT
SCHEMBL6702099 0.73 CYP1A1 (0.39) POLBALDH1A1SMN1; SMN2HTT
SCHEMBL7097206 0.69 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 1 patent. 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 disclosed