SCHEMBL7082473

SCHEMBL7082473

CC(=O)OCCOC(C)c1nc(C(C)C)c(Sc2cccc(F)c2)[nH]1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 5/20 0.34
TYMS P04818 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MAPT P10636 2/20 0.31
CA2 P00918 1/20 0.30
CA4 P22748 1/20 0.30
HAO1 Q9UJM8 1/20 0.30
GCGR P47871 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
SCHEMBL6962840 0.90
SCHEMBL7084539 0.90 SLC6A9 (0.33) SLC6A9TYMSALDH1A1LMNAL3MBTL1
SCHEMBL6968877 0.89 SLC6A9 (0.36) SLC6A9TYMSALDH1A1LMNAMAPT
SCHEMBL6964916 0.88 TUBB4A (0.33) ALDH1A1L3MBTL1CA2CA4
SCHEMBL6970144 0.87 SLC6A9 (0.33) SLC6A9TYMSHAO1GCGR
SCHEMBL6962736 0.86 TYMS (0.35) SLC6A9TYMSALDH1A1LMNAL3MBTL1
SCHEMBL7085474 0.85 CYP2C9 (0.38) ALDH1A1LMNAMAPT
SCHEMBL7086009 0.85 SLC6A9 (0.30) SLC6A9MAPT
SCHEMBL7078551 0.84 SLC6A9 (0.33) SLC6A9
SCHEMBL6960778 0.83 LMNA (0.34) ALDH1A1LMNAMAPT

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