SCHEMBL6969465

SCHEMBL6969465

CC(C)c1nc(CCCOC(N)=O)n(C)c1Sc1cccc(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.38
SLC6A9 P48067 3/20 0.35
ALOX12 P18054 1/20 0.34
LMNA P02545 2/20 0.34
TP53 P04637 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
MAOA P21397 1/20 0.33
TLR8 Q9NR97 1/20 0.33
PTPN11 Q06124 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
DHFR P00374 1/20 0.32
ALOX5 P09917 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
SCHEMBL7081564 0.94 MAOB (0.39) MAOBSLC6A9ALOX12LMNATP53
SCHEMBL6964428 0.90 TLR8 (0.33) LMNATLR8
SCHEMBL7077454 0.90 MAOB (0.36) MAOBSLC6A9ALOX12LMNATP53
SCHEMBL6974700 0.89 ALOX12 (0.35) SLC6A9ALOX12LMNATP53RXFP1
SCHEMBL7084556 0.89 EPHX1 (0.34) MAOBSLC6A9LMNAMAOAL3MBTL1
SCHEMBL6967291 0.88 ALOX12 (0.36) MAOBSLC6A9ALOX12LMNATP53
SCHEMBL6961350 0.88 LMNA (0.43) LMNATP53L3MBTL1MEN1KMT2A
SCHEMBL6969228 0.85 CACNA1F (0.35) LMNAMEN1KMT2A
SCHEMBL6965960 0.85 LMNA (0.34) SLC6A9ALOX12LMNATDP1
SCHEMBL6967111 0.84 HSP90B1 (0.31)

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