SCHEMBL7079210

SCHEMBL7079210

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.37
ALDH1A1 P00352 4/20 0.37
HPGD P15428 4/20 0.37
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
RECQL P46063 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HSP90AA1 P07900 1/20 0.36
GAA P10253 2/20 0.36
GLA P06280 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
IRAK4 Q9NWZ3 1/20 0.35

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
SCHEMBL6972012 0.91 RAB9A (0.41) LMNAALDH1A1HPGDMAPTKMT2A
SCHEMBL7079372 0.89 IRAK4 (0.38) LMNAALDH1A1HPGDMAPTKMT2A
SCHEMBL6967380 0.88 HSP90AA1 (0.39) LMNAALDH1A1HPGDMAPTKMT2A
SCHEMBL6956933 0.86 HSP90AA1 (0.41) LMNAALDH1A1HPGDMAPTKMT2A
SCHEMBL6966439 0.86 HSP90AA1 (0.41) LMNAALDH1A1HPGDMAPTKMT2A
SCHEMBL7080305 0.86 LMNA (0.42) LMNAALDH1A1HPGDMAPTKMT2A
SCHEMBL6962379 0.85 HPGD (0.37) LMNAALDH1A1HPGDMAPTKMT2A
SCHEMBL6975564 0.85 PKM (0.37) LMNAALDH1A1HPGDMAPTKMT2A
SCHEMBL7080662 0.84 LMNA (0.36) LMNAALDH1A1HPGDMAPTKMT2A
SCHEMBL7086267 0.84 MAPT (0.42) LMNAALDH1A1HPGDMAPTKMT2A

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