SCHEMBL6968871

SCHEMBL6968871

CC(=O)OCCOCc1nc(C(C)C)c(Sc2cccc(Cl)c2)n1C

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.36
SLC6A9 P48067 3/20 0.35
USP7 Q93009 1/20 0.34
ALOX12 P18054 1/20 0.34
TP53 P04637 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAOA P21397 1/20 0.33
TLR8 Q9NR97 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
ALOX5 P09917 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PPARG P37231 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
SCHEMBL7077454 0.92 MAOB (0.36) MAOBSLC6A9USP7ALOX12TP53
SCHEMBL7078163 0.91 MEN1 (0.38) MAOBSLC6A9USP7ALOX12TP53
SCHEMBL6967482 0.90 TLR8 (0.33) USP7TLR8
SCHEMBL7086454 0.89 ALOX12 (0.35) MAOBSLC6A9USP7ALOX12TP53
SCHEMBL7082468 0.89 CYP1A2 (0.35) MAOBSLC6A9MEN1KMT2AMAOA
SCHEMBL6964912 0.88 CYP1A2 (0.43) TP53MEN1KMT2ACYP1A2CYP2C9
SCHEMBL7078933 0.87 MAOB (0.35) MAOBSLC6A9ALOX12TP53RXFP1
SCHEMBL7085473 0.85 MEN1 (0.35) MAOBRXFP1MEN1KMT2AMAOA
SCHEMBL6973001 0.85 P2RX3 (0.33) SLC6A9ALOX12TP53RXFP1KMT2A
SCHEMBL6967291 0.84 ALOX12 (0.36) MAOBSLC6A9USP7ALOX12TP53

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