SCHEMBL6965389

SCHEMBL6965389

CCn1c(OC(C)=O)nc(C(C)C)c1Sc1cc(Cl)cc(Cl)c1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
HSP90B1 P14625 1/20 0.30

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
SCHEMBL7078897 0.89 TP53 (0.38) ALDH1A1HPGD
SCHEMBL7080639 0.86 ALDH1A1 (0.32) ALDH1A1
SCHEMBL6973011 0.85 MEN1 (0.34) ALDH1A1HPGD
SCHEMBL7087407 0.85 RECQL (0.30)
SCHEMBL6960619 0.84 MEN1 (0.37) ALDH1A1HPGD
SCHEMBL8800652 0.82 NPC1 (0.32) NPC1ALDH1A1HPGDRAB9A
SCHEMBL6974554 0.82 MEN1 (0.31) ALDH1A1
SCHEMBL7083284 0.82 KDM4E (0.34) ALDH1A1HPGD
SCHEMBL6973187 0.81 ALDH1A1 (0.39) ALDH1A1
SCHEMBL6968155 0.81 TLR8 (0.34)

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