SCHEMBL4798711

SCHEMBL4798711

CCc1cc(-c2cccs2)sc1-c1sc(S(N)(=O)=O)cc1CC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.36
NPC1 O15118 2/20 0.36
MAPT P10636 2/20 0.36
SDHB P21912 1/20 0.36
CA2 P00918 10/20 0.36
CA9 Q16790 4/20 0.36
CA1 P00915 3/20 0.36
CA12 O43570 2/20 0.36
LTA4H P09960 1/20 0.35
ALDH1A1 P00352 2/20 0.35
RAB9A P51151 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
CA13 Q8N1Q1 1/20 0.34
LMNA P02545 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
DPP4 P27487 1/20 0.33

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
SCHEMBL20146971 0.81 KDM4E (0.42) KDM4ENPC1MAPTSDHBLTA4H
SCHEMBL7121720 0.78 LMNA (0.39) KDM4ENPC1MAPTCA2CA9
SCHEMBL10062482 0.77 DPP4 (0.48) KDM4ENPC1MAPTSDHBLTA4H
SCHEMBL19513782 0.71 KDM4E (0.42) KDM4ENPC1MAPTSDHBLTA4H
SCHEMBL4801105 0.70 LTA4H (0.49) KDM4ENPC1MAPTCA2CA9
SCHEMBL14590760 0.69 SREBF2 (0.37) KDM4ENPC1MAPTSDHBLTA4H
SCHEMBL12264399 0.69 ADK (0.40) KDM4ENPC1MAPTLTA4HALDH1A1
Benzene SCHEMBL27668000 0.66 LTA4H (0.45) KDM4ENPC1MAPTCA2CA9
SCHEMBL10070116 0.66 DPP4 (0.44) KDM4ENPC1MAPTLTA4HALDH1A1
SCHEMBL9976553 0.66 LTA4H (0.53) KDM4ENPC1MAPTLTA4HALDH1A1

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
EP-1900357-A2 Drug delivery system for hydrophobic drugs QLT, Inc. (CA) 2008-03-19 EP disclosed
EP-1229937-A2 USE OF PDT TO INHIBIT INTIMAL HYPERPLASIA QLT Inc. (CA) 2002-08-14 EP disclosed
WO-2001035996-A2 USE OF PDT TO INHIBIT INTIMAL HYPERPLASIA QLT INC. (CA) 2001-05-25 WO disclosed
WO-2001035997-A2 USE OF LOW-DOSE PDT TO INHIBIT RESTENOSIS QLT INC. (CA) 2001-05-25 WO disclosed