SCHEMBL6974071

SCHEMBL6974071

CC(C)c1nc(CCOC(N)=O)n(CC(=O)c2ccccc2)c1Sc1cc(Cl)cc(Cl)c1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HTT P42858 1/20 0.33
ALDH1A1 P00352 3/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
MAPK1 P28482 1/20 0.33
CA1 P00915 4/20 0.32
CA2 P00918 4/20 0.32
CA7 P43166 4/20 0.32
CA13 Q8N1Q1 4/20 0.32
RXFP1 Q9HBX9 1/20 0.32
CXCR3 P49682 1/20 0.32
POLB P06746 1/20 0.31
HPGD P15428 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
BLM P54132 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL7084290 0.95 LMNA (0.35) MEN1KMT2AHTTALDH1A1LMNA
SCHEMBL6974497 0.91 MEN1 (0.34) MEN1KMT2AHTTALDH1A1LMNA
SCHEMBL6969233 0.90 KMT2A (0.36) MEN1KMT2AHTTALDH1A1LMNA
SCHEMBL6967852 0.90 KMT2A (0.33) MEN1KMT2AHTTALDH1A1MAPT
SCHEMBL7084431 0.87
SCHEMBL6960212 0.87 HTT (0.36) HTTALDH1A1LMNAMAPTMAPK1
SCHEMBL6960609 0.87 MAPT (0.37) MEN1KMT2AHTTALDH1A1LMNA
SCHEMBL6966622 0.85 TLR8 (0.35) HTTALDH1A1LMNAMAPTMAPK1
SCHEMBL6972724 0.85 LMNA (0.40) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL6965395 0.85 LMNA (0.35) MEN1KMT2AHTTALDH1A1LMNA

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