SCHEMBL6974575

SCHEMBL6974575

CC(C)c1nc(CCCOC(N)=O)n(Cc2cccc(N)c2)c1Sc1cc(F)cc(F)c1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 3/20 0.35
LMNA P02545 2/20 0.34
PPARG P37231 4/20 0.32
F10 P00742 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
KCNH2 Q12809 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
SCHEMBL6974217 0.95 TLR7 (0.32) TLR7F10
SCHEMBL6971875 0.92 LMNA (0.41) TLR7LMNAPPARGTDP1KCNH2
SCHEMBL6961399 0.91 PPARG (0.35) TLR7LMNAPPARGKCNH2
SCHEMBL7081410 0.90 LMNA (0.35) TLR7LMNAPPARGKDM4EALDH1A1
SCHEMBL6967408 0.90 F10 (0.33) TLR7LMNAF10MAPT
SCHEMBL6970826 0.88 GRIN1 (0.35) TLR7LMNA
SCHEMBL8492927 0.88 LMNA (0.38) TLR7LMNAPPARGKDM4EALDH1A1
SCHEMBL6965758 0.87 ENPP2 (0.34) TLR7LMNAPPARGKCNH2
SCHEMBL7084840 0.87 TLR7 (0.38) TLR7LMNAKDM4EALDH1A1MAPT
SCHEMBL6967887 0.86 LMNA (0.35) TLR7LMNAPPARGKDM4EALDH1A1

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