SCHEMBL6964425

SCHEMBL6964425

CC(C)c1nc(COC(N)=O)n(CCc2ccncc2)c1Sc1cc(Cl)cc(Cl)c1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.32
FLT1 P17948 2/20 0.32
KDR P35968 2/20 0.32
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
RXFP1 Q9HBX9 1/20 0.30
HSP90B1 P14625 1/20 0.30
TRAP1 Q12931 1/20 0.30
PIM1 P11309 1/20 0.30
PIM3 Q86V86 1/20 0.30

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
SCHEMBL6972344 0.92 THRB (0.32) THRBFLT1KDRLMNAMAPT
SCHEMBL6974427 0.92 MAPT (0.38) THRBMAPT
Capravirine SCHEMBL40347 0.92 PIM1 (0.35) LMNAMAPTHSP90B1TRAP1PIM1
Capravirine SCHEMBL4656686 0.92 PIM1 (0.35) LMNAMAPTHSP90B1TRAP1PIM1
SCHEMBL6973857 0.91 LMNA (0.33) THRBFLT1KDRLMNAHSP90B1
SCHEMBL6971460 0.89 MEN1 (0.35) RXFP1
SCHEMBL7084729 0.87 HSP90B1 (0.34) LMNAHSP90B1TRAP1
SCHEMBL7081608 0.87 LMNA (0.36) LMNAMAPTHSP90B1TRAP1
SCHEMBL6973057 0.86 LMNA (0.34) LMNAHSP90B1TRAP1
SCHEMBL6961932 0.86 PIM1 (0.33) PIM1PIM3

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