SCHEMBL6972344

SCHEMBL6972344

CC(C)c1nc(CCOC(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
HSP90B1 P14625 1/20 0.32
TRAP1 Q12931 1/20 0.32
FLT1 P17948 2/20 0.31
KDR P35968 2/20 0.31
CDK5 Q00535 1/20 0.31
CDK5R1 Q15078 1/20 0.31
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
RXFP1 Q9HBX9 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
SCHEMBL7084729 0.95 HSP90B1 (0.34) HSP90B1TRAP1LMNA
SCHEMBL6973857 0.95 LMNA (0.33) THRBHSP90B1TRAP1FLT1KDR
SCHEMBL6973396 0.93 PIM1 (0.34) HSP90B1TRAP1
SCHEMBL6964425 0.92 THRB (0.32) THRBHSP90B1TRAP1FLT1KDR
SCHEMBL6960609 0.92 MAPT (0.37) LMNAMAPT
SCHEMBL6973057 0.91 LMNA (0.34) HSP90B1TRAP1LMNA
SCHEMBL7080228 0.90 MEN1 (0.34) CDK5CDK5R1RXFP1
SCHEMBL6967720 0.89 GLA (0.32) HSP90B1TRAP1
SCHEMBL6971680 0.88 PIM1 (0.33) HSP90B1TRAP1LMNA
SCHEMBL6969197 0.87 HSP90B1 (0.32) HSP90B1TRAP1

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