SCHEMBL6973948

SCHEMBL6973948

CC(C)c1nc(CCCOC(N)=O)n(CCc2ccccc2)c1Sc1cc(Cl)cc(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
PLK1 P53350 1/20 0.36
MAPT P10636 3/20 0.36
GAA P10253 1/20 0.35
ALDH1A1 P00352 2/20 0.35
HTT P42858 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 3/20 0.33
TDP1 Q9NUW8 1/20 0.32
POLB P06746 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 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
SCHEMBL6970187 0.96 LMNA (0.44) LMNAPLK1MAPTALDH1A1MEN1
SCHEMBL6960609 0.95 MAPT (0.37) LMNAPLK1MAPTGAAALDH1A1
SCHEMBL6973857 0.92 LMNA (0.33) LMNAPLK1
SCHEMBL6972724 0.91 LMNA (0.40) LMNAPLK1MAPTALDH1A1MEN1
SCHEMBL6974427 0.90 MAPT (0.38) PLK1MAPTGAAALDH1A1HTT
SCHEMBL6971922 0.90 TLR8 (0.32) LMNA
SCHEMBL7085936 0.90 LMNA (0.42) LMNAPLK1MAPTGAAALDH1A1
SCHEMBL6960657 0.88 HSP90B1 (0.33)
SCHEMBL6973057 0.88 LMNA (0.34) LMNA
SCHEMBL6973053 0.88 HSP90B1 (0.38) LMNAMAPTALDH1A1MEN1KMT2A

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