SCHEMBL6969613

SCHEMBL6969613

CCCCCCn1c(CCCOC(N)=O)nc(C(C)C)c1Sc1cc(F)cc(F)c1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.33
GCGR P47871 9/20 0.32
TP53 P04637 1/20 0.31
TLR8 Q9NR97 1/20 0.30
TLR7 Q9NYK1 1/20 0.30
KCNH2 Q12809 1/20 0.30
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 1/20 0.30
APH1A Q96BI3 1/20 0.30
PSENEN Q9NZ42 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
SCHEMBL7083562 0.96 ALDH1A1 (0.32) PPARG
SCHEMBL6968457 0.95 GCGR (0.32) PPARGGCGRTP53PSEN1PSEN2
SCHEMBL6973961 0.94 MEN1 (0.34) PPARG
SCHEMBL6966575 0.92 ALDH1A1 (0.33) GCGR
SCHEMBL6973439 0.92 GLA (0.31)
SCHEMBL7085912 0.90 TP53 (0.32) PPARGTP53TLR8TLR7KCNH2
SCHEMBL6973745 0.90 MEN1 (0.32) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6969641 0.90 LMNA (0.30) PPARG
SCHEMBL6970967 0.89 PSEN1 (0.35) PPARGGCGRTP53TLR8TLR7
SCHEMBL7081941 0.88 LMNA (0.30)

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