SCHEMBL2866693

SCHEMBL2866693

CCc1ccc(S)c(-c2ccccc2)c1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.45
GABRB2 P47870 1/20 0.45
KDM4E B2RXH2 2/20 0.41
RCE1 Q9Y256 1/20 0.41
PTPN5 P54829 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAPT P10636 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
GAA P10253 1/20 0.38
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
ALDH1A1 P00352 1/20 0.36
CNR2 P34972 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36

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
SCHEMBL2861843 0.86 ELANE (0.42) KDM4ERCE1SMN1; SMN2L3MBTL1PDE4A
SCHEMBL2862581 0.83 ELANE (0.45) KDM4EMAPTALDH1A1CNR2
SCHEMBL2863982 0.82 TYR (0.46) KDM4EMAPTCNR2
SCHEMBL27957739 0.81 GABRA1 (0.48) GABRA1GABRB2KDM4ERCE1PTPN5
SCHEMBL2853792 0.81 TYR (0.49) KDM4EMAPT
SCHEMBL2861293 0.78 ESR1 (0.44) GABRA1GABRB2KDM4ERCE1PTPN5
SCHEMBL10770174 0.76 GABRA1 (0.50) GABRA1GABRB2KDM4ERCE1PTPN5
SCHEMBL30481171 0.76 GABRA1 (0.40) GABRA1GABRB2KDM4EPTPN5SMN1; SMN2
SCHEMBL29047890 0.76 GABRA1 (0.40) GABRA1GABRB2KDM4EPTPN5SMN1; SMN2
SCHEMBL2853743 0.76 ELANE (0.42) KDM4ESMN1; SMN2MAPTPDE4APDE4B

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
US-7713449-B2 Polymer electrolytic material, polymer electrolytic part, membrane electrode assembly, and polymer electrolyte fuel cell TORAY INDUSTRIES, INC. (JP) 2010-05-11 US disclosed
CN-100364160-C Polymer electrolyte material, polymer electrolyte part, membrane electrode composite and polymer electrolyte type fuel cell TORAY INDUSTRIES (JP) 2008-01-23 CN disclosed
US-20060180796-A1 Polymer electrolyte material, polymer electrolyte part, membrane electrode composite and polymer electrolyte type fuel cell TORAY INDUSTRIES, INC. (JP) 2006-08-17 US disclosed
EP-1619735-A1 POLYMER ELECTROLYTE MATERIAL, POLYMER ELECTROLYTE PART, MEMBRANE ELECTRODE COMPOSITE AND POLYMER ELECTROLYTE TYPE FUEL CELL TORAY INDUSTRIES, INC. (JP) 2006-01-25 EP disclosed