SCHEMBL6961646

SCHEMBL6961646

CC(=O)OC(C)c1nc(Sc2cc(Cl)cc(Cl)c2)c(C(C)C)[nH]1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TYMS P04818 1/20 0.31
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
XPO1 O14980 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
SCHEMBL6964414 0.89 HPGD (0.38) TYMSLMNA
SCHEMBL6961409 0.86 DHFR (0.30) TYMSXPO1
SCHEMBL6961662 0.86 TYMS (0.31) TYMSLMNASMN1; SMN2
SCHEMBL6967036 0.83 LMNA (0.38) LMNASMN1; SMN2
SCHEMBL6973863 0.81 CDC7 (0.32) LMNA
SCHEMBL6973994 0.81 TYMS (0.31) TYMSXPO1
SCHEMBL6973475 0.81 CDK4 (0.37) TYMS
SCHEMBL6969886 0.80 HSP90B1 (0.30)
SCHEMBL6973128 0.80 TYMS (0.35) TYMSLMNASMN1; SMN2XPO1
SCHEMBL7084364 0.78 HSP90B1 (0.32) TYMS

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