SCHEMBL6961635

SCHEMBL6961635

CC(C)c1nc(COCc2ccccc2)n(CC(C)(C)O)c1Sc1cc(Cl)cc(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.36
TLR7 Q9NYK1 2/20 0.36
NUDT1 P36639 1/20 0.36
VCP P55072 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
DHODH Q02127 2/20 0.32
SLC5A2 P31639 1/20 0.31
ADAMTS5 Q9UNA0 2/20 0.31
MMP2 P08253 1/20 0.31
MMP13 P45452 1/20 0.31
ADAM17 P78536 1/20 0.31
MDM2 Q00987 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 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
SCHEMBL14439829 0.88 VCP (0.36) VCPTDP1DHODHSLC5A2ADAMTS5
SCHEMBL14439828 0.88 TDP1 (0.40) VCPTDP1DHODHSLC5A2MDM2
SCHEMBL6966496 0.87 VCP (0.37) VCPTDP1DHODHSLC5A2ADAMTS5
SCHEMBL6973959 0.87 VCP (0.35) VCPTDP1DHODHSLC5A2ADAMTS5
SCHEMBL8109133 0.87 VCP (0.35) VCPTDP1DHODHSLC5A2ADAMTS5
SCHEMBL14439841 0.86 VCP (0.36) VCPTDP1DHODHSLC5A2ADAMTS5
SCHEMBL6965896 0.86 VCP (0.36) VCPTDP1DHODHSLC5A2ADAMTS5
SCHEMBL6968770 0.85 TDP1 (0.35) VCPTDP1SLC5A2ADAMTS5MMP2
SCHEMBL14439831 0.85 HDAC1 (0.40) VCPTDP1DHODHSLC5A2ADAMTS5
SCHEMBL14439830 0.85 TP53 (0.39) VCPTDP1DHODHTP53MAPT

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