SCHEMBL4695976

SCHEMBL4695976

CC(CCC(C(=O)N1CCCCCC1)C(=O)N1CCCCCC1)c1cc(NS(=O)(=O)c2ccc3ccccc3c2)ccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.48
F10 P00742 7/20 0.46
PLG P00747 1/20 0.45
PLAU P00749 1/20 0.45
HTR6 P50406 1/20 0.44
LMNA P02545 2/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL3071074 0.71 ALDH1A1 (0.46) PKMF10PLGPLAULMNA
SCHEMBL3063907 0.71 ALDH1A1 (0.44) PKMF10PLGPLAUHTR6
SCHEMBL27489065 0.70 PLG (0.67) F10PLGPLAUALDH1A1
Hydrochloric Acid SCHEMBL6793275 0.69 PLG (0.66) F10PLGPLAU
SCHEMBL6786044 0.69 F10 (0.63) F10PLGPLAUALDH1A1
SCHEMBL8721773 0.69 F10 (0.63) F10PLGPLAUALDH1A1
SCHEMBL3063905 0.68 ALDH1A1 (0.56) HTR6LMNAALDH1A1GAASMN1; SMN2
SCHEMBL2905301 0.67 ALDH1A1 (0.48) PKMF10HTR6LMNAALDH1A1
SCHEMBL3096727 0.67 F10 (0.51) F10PLGPLAU
SCHEMBL8278382 0.67 SMN1; SMN2 (0.67) PKMPLAULMNAALDH1A1GAA

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
EP-1922313-A1 PYRAZINE DERIVATIVES USEFUL AS ADENOSINE RECEPTOR ANTAGONISTS Laboratorios Almirall, S.A. (ES) 2008-05-21 EP disclosed
WO-2007017096-A1 PYRAZINE DERIVATIVES USEFUL AS ADENOSINE RECEPTOR ANTAGONISTS LABORATORIOS ALMIRALL, S.A. (ES) 2007-02-15 WO disclosed