SCHEMBL6972332

SCHEMBL6972332

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

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FAAH O00519 11/20 0.35
ENPP2 Q13822 1/20 0.34
ALOX5AP P20292 1/20 0.34
ITGB2 P05107 4/20 0.33
ICAM1 P05362 4/20 0.33
ITGAL P20701 4/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
P2RX3 P56373 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
SCHEMBL6966632 0.90 TDP1 (0.36) ENPP2KMT2AMEN1P2RX3
SCHEMBL6969844 0.88 FAAH (0.36) FAAHALOX5APITGB2ICAM1ITGAL
SCHEMBL6965855 0.86 ENPP2 (0.33) ENPP2P2RX3
SCHEMBL6973878 0.85 MEN1 (0.35) ENPP2KMT2AMEN1P2RX3
SCHEMBL6956997 0.82 FAAH (0.36) FAAHALOX5APITGB2ICAM1ITGAL
SCHEMBL6966431 0.82 TP53 (0.37) FAAHALOX5AP
SCHEMBL6960043 0.82 FAAH (0.35) FAAHALOX5APITGB2ICAM1ITGAL
SCHEMBL6964352 0.81
SCHEMBL6972940 0.81 FAAH (0.35) FAAHALOX5APITGB2ICAM1ITGAL
SCHEMBL7083375 0.80 FAAH (0.34) FAAHALOX5APITGB2ICAM1ITGAL

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0786455-B1 IMIDAZOLE DERIVATIVE SHIONOGI & CO (JP) 2003-12-03 EP claimed
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