SCHEMBL6972724

SCHEMBL6972724

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
TSSK1B Q9BXA7 1/20 0.34
ADRA1D P25100 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PLK1 P53350 1/20 0.33
HDAC1 Q13547 1/20 0.33
MAPT P10636 2/20 0.33
HSP90B1 P14625 1/20 0.33
TRAP1 Q12931 1/20 0.33
PLA2G2A P14555 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
PTGES O14684 2/20 0.32
SLC6A3 Q01959 1/20 0.32
PTGES2 Q9H7Z7 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 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
SCHEMBL6970187 0.96 LMNA (0.44) LMNAALDH1A1POLBTSSK1BADRA1D
SCHEMBL6960609 0.95 MAPT (0.37) LMNAALDH1A1POLBMEN1KMT2A
SCHEMBL7084729 0.92 HSP90B1 (0.34) LMNAHSP90B1TRAP1
SCHEMBL7081608 0.92 LMNA (0.36) LMNAALDH1A1POLBTSSK1BADRA1D
SCHEMBL6973948 0.91 LMNA (0.42) LMNAALDH1A1POLBMEN1KMT2A
SCHEMBL6972389 0.90 LMNA (0.40) LMNAALDH1A1POLBTSSK1BMEN1
SCHEMBL6973160 0.88 HSP90B1 (0.39) LMNAALDH1A1MEN1KMT2AMAPT
SCHEMBL6967720 0.88 GLA (0.32) HSP90B1TRAP1
SCHEMBL6973057 0.88 LMNA (0.34) LMNAHSP90B1TRAP1
SCHEMBL6972344 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