SCHEMBL7084286

SCHEMBL7084286

CC(C)c1nc(C(Cc2ccncc2)OCCO)[nH]c1Sc1cccc(F)c1

nearest known ligand 0.30

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 1/20 0.30
MAPK12 P53778 1/20 0.30
MAPK11 Q15759 1/20 0.30
MAPK14 Q16539 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
SCHEMBL7079175 0.92
SCHEMBL6962106 0.91 TP53 (0.32)
SCHEMBL7084598 0.89 ADRB2 (0.33)
SCHEMBL7086009 0.89 SLC6A9 (0.30)
SCHEMBL6967066 0.89 CYP3A4 (0.32)
SCHEMBL7081199 0.87 SLC6A9 (0.33)
SCHEMBL6973954 0.86 ROCK1 (0.32) MAPK13MAPK12MAPK11MAPK14
SCHEMBL6974367 0.86 SLC6A9 (0.32)
SCHEMBL7086505 0.86 MAPK13 (0.30) MAPK13MAPK12MAPK11MAPK14
SCHEMBL7083806 0.85 PDE4B (0.35)

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