SCHEMBL6960043

SCHEMBL6960043

CC(C)c1nc(CCOC(N)=O)n(Cc2cnc3ccccc3c2)c1Sc1cc(Cl)cc(Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FAAH O00519 7/20 0.35
ITGB2 P05107 5/20 0.34
ICAM1 P05362 5/20 0.34
ITGAL P20701 5/20 0.34
ALOX5AP P20292 1/20 0.34
HSP90AA1 P07900 1/20 0.34
ERCC5 P28715 1/20 0.33
FEN1 P39748 1/20 0.33
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
PIK3CD O00329 1/20 0.32
TRPM5 Q9NZQ8 1/20 0.32

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
SCHEMBL7083375 0.95 FAAH (0.34) FAAHITGB2ICAM1ITGALALOX5AP
SCHEMBL6969844 0.92 FAAH (0.36) FAAHITGB2ICAM1ITGALALOX5AP
SCHEMBL6972767 0.91 FAAH (0.35) FAAHITGB2ICAM1ITGALERCC5
SCHEMBL6972940 0.87 FAAH (0.35) FAAHITGB2ICAM1ITGALALOX5AP
SCHEMBL7084086 0.85 TDP1 (0.36) FAAHITGB2ICAM1ITGALALOX5AP
SCHEMBL6966285 0.85 P2RX3 (0.33) ALOX5AP
SCHEMBL6973396 0.85 PIM1 (0.34)
SCHEMBL6956997 0.85 FAAH (0.36) FAAHITGB2ICAM1ITGALALOX5AP
SCHEMBL6966178 0.85 ADRA1D (0.36) HSP90AA1
SCHEMBL6973223 0.84 TDP1 (0.33)

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