SCHEMBL6960405

SCHEMBL6960405

CC(C#N)C1=C(Sc2cccc(Cl)c2)N(C)C(CO[SiH](C)C)(C(C)(C)C)N1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL6972420 0.84 MEN1 (0.32) MEN1KMT2ANPSR1TDP1L3MBTL1
SCHEMBL6962753 0.84 MEN1 (0.32) MEN1KMT2ANPSR1TDP1L3MBTL1
SCHEMBL6967554 0.81 SLC6A2 (0.32)
SCHEMBL6973526 0.81 SLC6A2 (0.31)
SCHEMBL6966591 0.76 USP7 (0.32)
SCHEMBL8346906 0.62 MEN1 (0.38) MEN1KMT2ANPSR1TDP1L3MBTL1
SCHEMBL6968212 0.58 TYMS (0.32)
SCHEMBL6960398 0.58 MEN1 (0.38) MEN1KMT2ANPSR1TDP1L3MBTL1
SCHEMBL6975073 0.58 MEN1 (0.46) MEN1KMT2ANPSR1TDP1L3MBTL1
SCHEMBL6965611 0.57 MEN1 (0.43) MEN1KMT2ANPSR1TDP1L3MBTL1

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