SCHEMBL7081608

SCHEMBL7081608

CC(C)c1nc(COC(N)=O)n(CCCc2ccccc2)c1Sc1cc(Cl)cc(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
ALDH1A1 P00352 2/20 0.35
POLB P06746 1/20 0.35
TSSK1B Q9BXA7 1/20 0.35
ADRA1D P25100 1/20 0.35
MAPT P10636 3/20 0.33
PLA2G2A P14555 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PTGES O14684 1/20 0.33
PTGES2 Q9H7Z7 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PLK1 P53350 1/20 0.32
EHMT2 Q96KQ7 1/20 0.32
MCL1 Q07820 1/20 0.32
HSP90B1 P14625 1/20 0.32
TRAP1 Q12931 1/20 0.32
SIRT5 Q9NXA8 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
SCHEMBL6974427 0.95 MAPT (0.38) ALDH1A1MAPTTDP1MEN1KMT2A
SCHEMBL6972724 0.92 LMNA (0.40) LMNAALDH1A1POLBTSSK1BADRA1D
SCHEMBL6970187 0.91 LMNA (0.44) LMNAALDH1A1POLBTSSK1BADRA1D
SCHEMBL6967638 0.90 TDP1 (0.39) LMNAALDH1A1POLBMAPTPLA2G2A
SCHEMBL7085380 0.90 LMNA (0.36) LMNAALDH1A1POLBTSSK1BPLA2G2A
SCHEMBL8100819 0.88 HSP90B1 (0.33) LMNAADRA1DMAPTMEN1KMT2A
SCHEMBL6974759 0.87 HSP90B1 (0.40) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL6973948 0.87 LMNA (0.42) LMNAALDH1A1POLBMAPTTDP1
SCHEMBL6960609 0.87 MAPT (0.37) LMNAALDH1A1POLBMAPTTDP1
SCHEMBL6964425 0.87 THRB (0.32) LMNAMAPTHSP90B1TRAP1

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