SCHEMBL6960609

SCHEMBL6960609

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

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.36
ALDH1A1 P00352 3/20 0.35
HTT P42858 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.34
PLK1 P53350 1/20 0.34
FBP1 P09467 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
POLB P06746 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HSD17B10 Q99714 1/20 0.33
USP2 O75604 1/20 0.33

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
SCHEMBL6972724 0.95 LMNA (0.40) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL6973948 0.95 LMNA (0.42) MAPTLMNAGAAALDH1A1HTT
SCHEMBL6972344 0.92 THRB (0.32) MAPTLMNA
SCHEMBL6974427 0.92 MAPT (0.38) MAPTGAAALDH1A1HTTMEN1
SCHEMBL6970187 0.91 LMNA (0.44) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL6967720 0.90 GLA (0.32)
SCHEMBL6970753 0.89 ALDH1A1 (0.37) MAPTLMNAGAAALDH1A1HTT
SCHEMBL6969197 0.88 HSP90B1 (0.32)
SCHEMBL6973857 0.87 LMNA (0.33) LMNAPLK1
SCHEMBL7084729 0.87 HSP90B1 (0.34) LMNA

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