SCHEMBL6972978

SCHEMBL6972978

CC(C)c1nc(CCCO)n(CCCc2ccccc2)c1Sc1cc(Cl)cc(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
TLR8 Q9NR97 3/20 0.34
HSP90B1 P14625 2/20 0.34
TRAP1 Q12931 2/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
TSSK1B Q9BXA7 1/20 0.34
GSK3B P49841 3/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP2C9 P11712 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL6964845 0.95 MEN1 (0.35) MEN1KMT2ATLR8TDP1ALDH1A1
SCHEMBL6970813 0.95 KMT2A (0.35) MEN1KMT2AHSP90B1TRAP1HDAC1
SCHEMBL6972502 0.92 POLB (0.38) MEN1KMT2AHSP90B1TRAP1TSSK1B
SCHEMBL6965579 0.91 HSP90B1 (0.35) TLR8HSP90B1TRAP1GSK3BHSP90AA1
SCHEMBL6973152 0.89 POLB (0.37) MEN1KMT2AHSP90B1TRAP1TSSK1B
SCHEMBL6968588 0.89 MEN1 (0.37) MEN1KMT2ATDP1CYP2C9ALDH1A1
SCHEMBL6969724 0.88 MAPK14 (0.37) MEN1KMT2AHDAC1HDAC8TSSK1B
SCHEMBL6968283 0.88 POLB (0.37) MEN1KMT2AHSP90B1TRAP1TSSK1B
SCHEMBL6972573 0.88 POLB (0.37) MEN1KMT2AHSP90B1TRAP1TSSK1B
SCHEMBL6962002 0.88 TLR8 (0.36) KMT2ATLR8HSP90B1TRAP1HSP90AA1

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