SCHEMBL6974497

SCHEMBL6974497

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA7 P43166 2/20 0.33
CA13 Q8N1Q1 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CXCR3 P49682 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NPSR1 Q6W5P4 2/20 0.32
HTT P42858 1/20 0.32
BLM P54132 1/20 0.31
EPHX1 P07099 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
ALOX5 P09917 1/20 0.31
CTSD P07339 1/20 0.31
GUSB P08236 1/20 0.31

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
SCHEMBL6974071 0.91 MEN1 (0.33) MEN1KMT2ACA1CA2CA7
SCHEMBL6965372 0.90 KMT2A (0.37) MEN1KMT2ASMN1; SMN2LMNAHPGD
SCHEMBL7084290 0.90 LMNA (0.35) MEN1KMT2ACA1CA2CA7
SCHEMBL6961728 0.89 KMT2A (0.34) MEN1KMT2ASMN1; SMN2L3MBTL1NPSR1
SCHEMBL6967638 0.88 TDP1 (0.39) MEN1KMT2ALMNAL3MBTL1ALDH1A1
SCHEMBL8115373 0.87
SCHEMBL6973650 0.87 CA1 (0.37) MEN1KMT2ACA1CA2CA7
SCHEMBL14439834 0.86 MEN1 (0.38) MEN1KMT2ASMN1; SMN2LMNAL3MBTL1
SCHEMBL6974427 0.85 MAPT (0.38) MEN1KMT2ASMN1; SMN2L3MBTL1NPSR1
SCHEMBL6960212 0.85 HTT (0.36) CA1CA2CA7CA13SMN1; SMN2

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