SCHEMBL6970187

SCHEMBL6970187

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
PLK1 P53350 1/20 0.34
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 0.33
KMT2A Q03164 1/20 0.33
PTGES O14684 1/20 0.33
ALOX5 P09917 1/20 0.33
PPARG P37231 1/20 0.33
HDAC1 Q13547 1/20 0.33
GPBAR1 Q8TDU6 1/20 0.33
MAPT P10636 1/20 0.33
PLA2G2A P14555 1/20 0.32
GSK3B P49841 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL6972724 0.96 LMNA (0.40) LMNAPLK1ALDH1A1POLBTSSK1B
SCHEMBL6973948 0.96 LMNA (0.42) LMNAPLK1ALDH1A1POLBMEN1
SCHEMBL6973057 0.92 LMNA (0.34) LMNAGSK3B
SCHEMBL7081608 0.91 LMNA (0.36) LMNAPLK1ALDH1A1POLBTSSK1B
SCHEMBL6960609 0.91 MAPT (0.37) LMNAPLK1ALDH1A1POLBMEN1
SCHEMBL6969841 0.90 LMNA (0.44) LMNAPLK1ALDH1A1POLBTSSK1B
SCHEMBL6971922 0.89 TLR8 (0.32) LMNA
SCHEMBL6973053 0.89 HSP90B1 (0.38) LMNAALDH1A1MEN1KMT2APPARG
SCHEMBL6973857 0.88 LMNA (0.33) LMNAPLK1GSK3B
SCHEMBL7084729 0.88 HSP90B1 (0.34) LMNAGSK3B

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