SCHEMBL6975013

SCHEMBL6975013

Cc1ncccc1Cn1c(CCCO)nc(C(C)C)c1Sc1cc(F)cc(F)c1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 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
SCHEMBL7087627 0.94 ENPP2 (0.31) ENPP2
SCHEMBL6973801 0.91 DHODH (0.32)
SCHEMBL7081079 0.89 HSP90B1 (0.33)
SCHEMBL6972231 0.87 NPC1 (0.30) ENPP2
SCHEMBL6973869 0.85 TLR7 (0.35)
SCHEMBL6965833 0.85 ALDH1A1 (0.32)
SCHEMBL6968851 0.85 NPC1 (0.31) ENPP2
SCHEMBL6970972 0.83 HRH1 (0.31)
SCHEMBL7079248 0.83 TDP1 (0.37)
SCHEMBL7086853 0.83 GRIN1 (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