SCHEMBL6967291

SCHEMBL6967291

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

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 1/20 0.36
TP53 P04637 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
MAOB P27338 3/20 0.35
MAOA P21397 1/20 0.35
SLC6A9 P48067 2/20 0.35
ALOX5 P09917 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
USP7 Q93009 1/20 0.34
PTPN11 Q06124 1/20 0.34
PPARG P37231 2/20 0.33
NOTUM Q6P988 1/20 0.33
LMNA P02545 1/20 0.33
TRPM5 Q9NZQ8 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
SCHEMBL7077454 0.91 MAOB (0.36) ALOX12TP53RXFP1MAOBMAOA
SCHEMBL7078163 0.91 MEN1 (0.38) ALOX12TP53RXFP1MAOBMAOA
SCHEMBL7081564 0.90 MAOB (0.39) ALOX12TP53RXFP1MAOBMAOA
SCHEMBL6961025 0.89 LMNA (0.36) L3MBTL1MEN1KMT2AUSP7LMNA
SCHEMBL6971905 0.89 L3MBTL1 (0.38) ALOX12TP53RXFP1MAOBMAOA
SCHEMBL6969465 0.88 MAOB (0.38) ALOX12TP53RXFP1MAOBMAOA
SCHEMBL6974816 0.88 ALOX12 (0.36) ALOX12TP53RXFP1SLC6A9ALOX5
SCHEMBL6972949 0.88 ALOX12 (0.37) ALOX12TP53RXFP1SLC6A9ALOX5
SCHEMBL6969926 0.88 TP53 (0.36) ALOX12TP53RXFP1MAOBMAOA
SCHEMBL6969795 0.88 EPHX1 (0.37) TP53MAOBMAOASLC6A9L3MBTL1

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