SCHEMBL6960778

SCHEMBL6960778

CC(=O)OCCOC(Cc1cccnc1)c1nc(C(C)C)c(Sc2cccc(F)c2)[nH]1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
IDO1 P14902 4/20 0.33
PTAFR P25105 2/20 0.32
NAMPT P43490 1/20 0.32
PKM P14618 1/20 0.31
KMT2A Q03164 3/20 0.31
GRM2 Q14416 1/20 0.31
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
GFER P55789 1/20 0.30
KCNA5 P22460 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
SCHEMBL7082209 0.94 IDO1 (0.34) IDO1NAMPTKMT2AGRM2MEN1
SCHEMBL7086009 0.91 SLC6A9 (0.30) MAPT
SCHEMBL7084647 0.91 ALDH1A1 (0.38) LMNAIDO1NAMPTKMT2AMEN1
SCHEMBL6973132 0.90 LMNA (0.34) LMNANAMPTKMT2AMEN1CYP1A2
SCHEMBL6972343 0.90 IDO1 (0.36) LMNAIDO1PTAFRNAMPTPKM
SCHEMBL6962106 0.90 TP53 (0.32) LMNAIDO1KMT2AGRM2ALDH1A1
SCHEMBL6962571 0.88 RXFP1 (0.36) LMNAPTAFRKMT2AMEN1CYP1A2
SCHEMBL6969216 0.87 MEN1 (0.34) LMNAIDO1NAMPTKMT2AMEN1
SCHEMBL7084539 0.86 SLC6A9 (0.33) LMNAALDH1A1
SCHEMBL7078551 0.85 SLC6A9 (0.33) KMT2A

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