SCHEMBL6967925

SCHEMBL6967925

Cn1c(CO)nc(C(C)(C)C#N)c1Sc1cccc(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAOB P27338 2/20 0.35
MAOA P21397 1/20 0.35
POLB P06746 1/20 0.32
PTPN11 Q06124 1/20 0.32
GRM5 P41594 4/20 0.32
USP7 Q93009 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
NOTUM Q6P988 1/20 0.31

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
SCHEMBL6962750 0.84 MEN1 (0.39) MEN1KMT2ATDP1NPSR1L3MBTL1
SCHEMBL6965611 0.78 MEN1 (0.43) MEN1KMT2ATDP1NPSR1L3MBTL1
SCHEMBL6969476 0.76 MEN1 (0.39) MEN1KMT2ATDP1NPSR1L3MBTL1
SCHEMBL7087586 0.70 MEN1 (0.45) MEN1KMT2ATDP1NPSR1L3MBTL1
SCHEMBL6973521 0.69 KMT2A (0.34) MEN1KMT2ATDP1NPSR1L3MBTL1
SCHEMBL6969170 0.69 MEN1 (0.41) MEN1KMT2ATDP1NPSR1L3MBTL1
SCHEMBL6972112 0.69 LMNA (0.39) MEN1KMT2ATDP1NPSR1L3MBTL1
SCHEMBL8346867 0.68 MEN1 (0.41) MEN1KMT2ATDP1NPSR1L3MBTL1
SCHEMBL6972414 0.68 MEN1 (0.39) MEN1KMT2ATDP1NPSR1L3MBTL1
SCHEMBL6969738 0.68 MAOB (0.40) 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 3 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-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