SCHEMBL6969476

SCHEMBL6969476

CC(C)c1nc(CO)n(C)c1Sc1cccc(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAOB P27338 2/20 0.38
MAOA P21397 1/20 0.38
GRM5 P41594 3/20 0.36
TP53 P04637 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
NOTUM Q6P988 1/20 0.36
POLB P06746 1/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL6969738 0.91 MAOB (0.40) MEN1KMT2ATDP1NPSR1L3MBTL1
SCHEMBL6960474 0.89 TLR8 (0.42) MEN1KMT2ATDP1NPSR1L3MBTL1
SCHEMBL6961416 0.88 MEN1 (0.39) MEN1KMT2ATDP1NPSR1L3MBTL1
SCHEMBL6965611 0.88 MEN1 (0.43) MEN1KMT2ATDP1NPSR1L3MBTL1
SCHEMBL6163272 0.87 HSP90B1 (0.33)
Hydrochloric Acid SCHEMBL6967801 0.87 MEN1 (0.38) MEN1KMT2ATDP1NPSR1L3MBTL1
SCHEMBL6965320 0.86 MEN1 (0.36) MEN1KMT2ATDP1NPSR1L3MBTL1
SCHEMBL6973798 0.86 MEN1 (0.40) MEN1KMT2ATDP1NPSR1L3MBTL1
SCHEMBL7085819 0.86 MAOB (0.40) MEN1KMT2ATDP1NPSR1L3MBTL1
SCHEMBL7087586 0.86 MEN1 (0.45) MEN1KMT2ATDP1NPSR1L3MBTL1

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