SCHEMBL6964845

SCHEMBL6964845

CC(C)c1nc(CCCO)n(CCc2ccccc2)c1Sc1cc(Cl)cc(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
LMNA P02545 2/20 0.35
POLB P06746 1/20 0.35
TLR8 Q9NR97 3/20 0.35
ALDH1A1 P00352 2/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 3/20 0.35
TDP1 Q9NUW8 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL6972978 0.95 MEN1 (0.35) MEN1KMT2ATLR8ALDH1A1TDP1
SCHEMBL6968588 0.94 MEN1 (0.37) MEN1KMT2ALMNAPOLBALDH1A1
SCHEMBL6965157 0.91 TLR8 (0.34) TLR8ALDH1A1TDP1
SCHEMBL6965480 0.91 POLB (0.44) MEN1KMT2ALMNAPOLBALDH1A1
SCHEMBL6970813 0.90 KMT2A (0.35) MEN1KMT2AALDH1A1TDP1SMN1; SMN2
SCHEMBL6962002 0.88 TLR8 (0.36) KMT2ATLR8ALDH1A1
SCHEMBL6974514 0.88 MEN1 (0.35) MEN1KMT2ALMNAPOLBALDH1A1
SCHEMBL6972502 0.87 POLB (0.38) MEN1KMT2ALMNAPOLBALDH1A1
SCHEMBL7084131 0.86 TLR8 (0.35) LMNATLR8ALDH1A1MAPTSMN1; SMN2
SCHEMBL6965579 0.86 HSP90B1 (0.35) TLR8

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