SCHEMBL7094428

SCHEMBL7094428

O=c1c2sccc2nc2n1CCC(CS)S2

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 15/20 0.41
PDE4B Q07343 7/20 0.40
DPP4 P27487 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
PDE7B Q9NP56 1/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
TSHR P16473 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
LMNA P02545 1/20 0.35
PDE4A P27815 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34

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
SCHEMBL7094430 1.00 PDE7A (0.41) PDE7APDE4BDPP4L3MBTL1PDE7B
SCHEMBL7016000 0.87 PDE7A (0.40) PDE7APDE4BL3MBTL1PDE7BALDH1A1
SCHEMBL7015998 0.87 PDE7A (0.40) PDE7APDE4BL3MBTL1PDE7BALDH1A1
SCHEMBL7097767 0.77 PDE7A (0.40) PDE7APDE4BL3MBTL1PDE7BALDH1A1
SCHEMBL7097766 0.77 PDE7A (0.40) PDE7APDE4BL3MBTL1PDE7BALDH1A1
SCHEMBL6795854 0.68 ALDH1A1 (0.40) ALDH1A1HPGDKDM4ETSHRSMN1; SMN2
SCHEMBL7097210 0.68 PDE7A (0.39) PDE7APDE4BL3MBTL1PDE7BALDH1A1
SCHEMBL7097211 0.68 PDE7A (0.39) PDE7APDE4BL3MBTL1PDE7BALDH1A1
SCHEMBL6804689 0.65 ALDH1A1 (0.49) L3MBTL1ALDH1A1HPGDKDM4ETSHR
SCHEMBL29354937 0.63 KMT2A (0.56) PDE7APDE4BL3MBTL1PDE7BALDH1A1

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
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