SCHEMBL6970649

SCHEMBL6970649

CC(C)c1nc(COCCO)n(Cc2ccncc2)c1Sc1cc(Cl)cc(Cl)c1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.32
GRM5 P41594 2/20 0.30

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
SCHEMBL7084596 0.92 IDO1 (0.33) KCNH2GRM5
SCHEMBL7085225 0.90 GRM5 (0.33) GRM5
SCHEMBL14459814 0.90 TLR7 (0.33) KCNH2
SCHEMBL7079170 0.90 ENPP2 (0.31) GRM5
SCHEMBL6967059 0.88 MAPT (0.33)
SCHEMBL6973843 0.88 TLR8 (0.32) GRM5
SCHEMBL6961932 0.87 PIM1 (0.33)
SCHEMBL6969945 0.87 KCNH2 (0.34) KCNH2
SCHEMBL7084120 0.87 KCNH2 (0.34) KCNH2
SCHEMBL5852651 0.87 KCNH2 (0.35) KCNH2

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