SCHEMBL7084576

SCHEMBL7084576

CC(C)c1nc(COCCOC(N)=O)n(C)c1Sc1cccc([N+](=O)[O-])c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.35
MAPT P10636 5/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
CYP2C9 P11712 3/20 0.35
CYP2C19 P33261 3/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
TSHR P16473 1/20 0.35
NFKB1 P19838 1/20 0.35
THPO P40225 1/20 0.35
CACNA1F O60840 4/20 0.34
CACNA1D Q01668 4/20 0.34
CACNA1S Q13698 4/20 0.34
CACNA1C Q13936 4/20 0.34
HPGD P15428 2/20 0.34
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
RECQL P46063 1/20 0.34

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
SCHEMBL7085473 0.92 MEN1 (0.35) LMNAMAPTMEN1KMT2ACYP2C9
SCHEMBL7080662 0.92 LMNA (0.36) LMNAMAPTMEN1KMT2ACYP2C9
SCHEMBL7080305 0.92 LMNA (0.42) LMNAMAPTMEN1KMT2ACYP2C9
SCHEMBL6965379 0.91 CYP2C9 (0.36) LMNAMAPTMEN1KMT2ACYP2C9
SCHEMBL6969228 0.90 CACNA1F (0.35) LMNAMAPTMEN1KMT2ACYP2C9
SCHEMBL6970784 0.88 HSP90AA1 (0.36) LMNAMAPTMEN1KMT2ACYP2C9
SCHEMBL6969509 0.86 PDE4A (0.34) LMNAMAPTMEN1KMT2ACYP2C9
SCHEMBL7077454 0.86 MAOB (0.36) LMNAMEN1KMT2ATDP1NPSR1
SCHEMBL7087401 0.86 EPHX1 (0.34) LMNAMAPTCYP2C9CYP2C19CYP1A2
SCHEMBL6969746 0.86 MEN1 (0.40) LMNAMAPTMEN1KMT2ACYP2C9

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