SCHEMBL6967408

SCHEMBL6967408

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

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.33
ENPP2 Q13822 1/20 0.32
CSNK1A1 P48729 1/20 0.31
TLR7 Q9NYK1 2/20 0.31
MAPT P10636 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GRM2 Q14416 1/20 0.31
LMNA P02545 1/20 0.30
GLA P06280 1/20 0.30
TSHR P16473 1/20 0.30
HTT P42858 1/20 0.30
ABHD6 Q9BV23 1/20 0.30
POLB P06746 1/20 0.30
PLA2G2A P14555 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 0.91 TLR7 (0.32) F10TLR7GRM2
SCHEMBL6975183 0.91 ENPP2 (0.35) ENPP2TLR7MAPTL3MBTL1GRM2
SCHEMBL6973048 0.90 ENPP2 (0.35) ENPP2GRM2LMNA
SCHEMBL6974575 0.90 TLR7 (0.35) F10TLR7MAPTLMNA
SCHEMBL6975100 0.90 TDP1 (0.33) CSNK1A1TLR7MAPTLMNAABHD6
SCHEMBL6967126 0.87 GRIN1 (0.37) ENPP2TLR7GRM2
SCHEMBL6974519 0.86 ENPP2 (0.35) ENPP2TLR7POLB
SCHEMBL6970748 0.86 TSHR (0.33) TLR7GRM2TSHRHTT
SCHEMBL6973336 0.85 ALDH1A1 (0.32) LMNAHTTPOLB
SCHEMBL6964177 0.84 TLR7 (0.35) TLR7TSHRHTT

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