SCHEMBL6970144

SCHEMBL6970144

CC(C)c1nc(C(C)OCCO)[nH]c1Sc1cccc(F)c1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 5/20 0.33
HAO1 Q9UJM8 1/20 0.33
GCGR P47871 1/20 0.32
TYMS P04818 1/20 0.32

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
SCHEMBL6957380 0.89
SCHEMBL7081199 0.89 SLC6A9 (0.33) SLC6A9HAO1GCGRTYMS
SCHEMBL7078935 0.87 SLC6A9 (0.34) SLC6A9TYMS
SCHEMBL7082473 0.87 SLC6A9 (0.34) SLC6A9HAO1GCGRTYMS
SCHEMBL7080480 0.87 DHFR (0.36) GCGR
SCHEMBL7084286 0.84 MAPK13 (0.30)
SCHEMBL6971303 0.83 HAO1 (0.33) SLC6A9HAO1TYMS
SCHEMBL6970789 0.83 HSP90AA1 (0.36)
SCHEMBL6974367 0.82 SLC6A9 (0.32) SLC6A9
SCHEMBL7087559 0.82 HAO1 (0.38) SLC6A9HAO1GCGRTYMS

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