SCHEMBL6971258

SCHEMBL6971258

CC(C)c1nc(CCCOC(N)=O)n(Cc2cccnc2)c1Sc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
CHRNA7 P36544 2/20 0.39
TLR7 Q9NYK1 3/20 0.39
FKBP1A P62942 3/20 0.36
HDAC1 Q13547 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
S1PR3 Q99500 1/20 0.34

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
SCHEMBL6974469 0.95 TLR7 (0.36) LMNACHRNA7TLR7HDAC1HDAC8
SCHEMBL6973707 0.91 ALDH1A1 (0.34) LMNACHRNA7TLR7FKBP1AS1PR3
SCHEMBL6960297 0.91 MDM2 (0.34) LMNACHRNA7TLR7HDAC1HDAC8
SCHEMBL7082248 0.90 LMNA (0.40) LMNATLR7
SCHEMBL6973497 0.90 ALDH1A1 (0.38) LMNATLR7FKBP1A
SCHEMBL6969763 0.90 GRIN1 (0.35) LMNACHRNA7TLR7FKBP1AS1PR3
SCHEMBL6970826 0.90 GRIN1 (0.35) LMNACHRNA7TLR7FKBP1AS1PR3
SCHEMBL6966597 0.90 FKBP1A (0.35) LMNACHRNA7TLR7FKBP1AS1PR3
SCHEMBL7086385 0.89 TLR7 (0.35) LMNATLR7L3MBTL1S1PR3
SCHEMBL7085948 0.88 FKBP1A (0.41) FKBP1A

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