SCHEMBL6969844

SCHEMBL6969844

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

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 9/20 0.36
ALOX5AP P20292 1/20 0.36
DPP4 P27487 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
ITGB2 P05107 5/20 0.35
ICAM1 P05362 5/20 0.35
ITGAL P20701 5/20 0.35
HSP90AA1 P07900 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
ERCC5 P28715 1/20 0.34
FEN1 P39748 1/20 0.34
PIK3CD O00329 1/20 0.33

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
SCHEMBL6960043 0.92 FAAH (0.35) FAAHALOX5APDPP4DPP8ITGB2
SCHEMBL7083375 0.91 FAAH (0.34) FAAHALOX5APDPP4DPP8ITGB2
SCHEMBL6974151 0.90 FAAH (0.36) FAAHDPP4DPP8ITGB2ICAM1
SCHEMBL6967638 0.89 TDP1 (0.39) TP53MAPT
SCHEMBL6972332 0.88 FAAH (0.35) FAAHALOX5APITGB2ICAM1ITGAL
SCHEMBL6956997 0.86 FAAH (0.36) FAAHALOX5APITGB2ICAM1ITGAL
SCHEMBL6966431 0.86 TP53 (0.37) FAAHALOX5APTP53MAPTERCC5
SCHEMBL14001658 0.85 P2RX3 (0.35) TP53MAPT
SCHEMBL6972940 0.85 FAAH (0.35) FAAHALOX5APITGB2ICAM1ITGAL
Capravirine SCHEMBL40347 0.84 PIM1 (0.35) MAPT

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