SCHEMBL6974036

SCHEMBL6974036

CC(C)c1nc(CCN)n(Cc2ccncc2)c1Sc1cc(F)cc(F)c1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.32
KCNK13 Q9HB14 2/20 0.31
GSK3B P49841 1/20 0.31
TLR7 Q9NYK1 1/20 0.31

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
SCHEMBL7083358 0.92 KCNK13 (0.32) ENPP2KCNK13
SCHEMBL6975055 0.91 GRIN1 (0.35) ENPP2KCNK13GSK3BTLR7
SCHEMBL7085356 0.90 ENPP2 (0.36) ENPP2GSK3B
SCHEMBL7082703 0.88 KCNH2 (0.34) LOXL2GSK3BTLR7
SCHEMBL6973823 0.88 GRIN1 (0.38) TLR7
SCHEMBL6969774 0.88 ENPP2 (0.35) ENPP2GSK3BTLR7
SCHEMBL6960983 0.87 ENPP2 (0.32) ENPP2KCNK13
SCHEMBL8343038 0.86 TBXA2R (0.42) ENPP2GSK3B
SCHEMBL7082836 0.86 TLR7 (0.38) ENPP2LOXL2GSK3BTLR7
SCHEMBL8494049 0.86 PTGDR2 (0.37) ENPP2

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-0786455-B1 IMIDAZOLE DERIVATIVE SHIONOGI & CO (JP) 2003-12-03 EP disclosed
US-6147097-A METHOD FOR TREATING AIDS SHIONOGI & CO., LTD. (JP) 2000-11-14 US disclosed
US-5910506-A IMIDAZOLE DERIVATIVES, E.G.5-(3,5-DICHLOROPHENYLTHIO)-1,2-DIMETHYL-4-ISOPROPYL-1H-IMIDAZOLE; VIRICIDES; AIDS; NONTOXIC SHIONOGI & CO., LTD. (JP) 1999-06-08 US disclosed
EP-0786455-A1 IMIDAZOLE DERIVATIVE SHIONOGI & CO., LTD. (JP) 1997-07-30 EP disclosed