SCHEMBL7084545

SCHEMBL7084545

CCn1c(COCCO)nc(Sc2cccc(F)c2)c1C(C)C

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.33
CA2 P00918 2/20 0.32
CA4 P22748 2/20 0.32
SLC6A9 P48067 4/20 0.32
MAPK1 P28482 1/20 0.31
VCP P55072 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
SCHEMBL7083663 0.90
SCHEMBL6960600 0.88 ALOX12 (0.36) SLC6A9
SCHEMBL6971298 0.88 MAOA (0.34) CA2CA4SLC6A9VCP
SCHEMBL6961644 0.87 ACSS2 (0.34)
SCHEMBL7086504 0.87 GRIN1 (0.33)
SCHEMBL6969383 0.86 DHODH (0.41) DHODHCA2CA4SLC6A9
SCHEMBL6970022 0.85 CYP2C9 (0.36)
SCHEMBL7081196 0.84 DHODH (0.35) DHODHSLC6A9MAPK1VCP
SCHEMBL7086265 0.84 CA2 (0.36) DHODHCA2CA4SLC6A9
SCHEMBL7081810 0.83 CA2 (0.38) DHODHCA2CA4SLC6A9

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