SCHEMBL6971905

SCHEMBL6971905

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALOX12 P18054 1/20 0.34
TP53 P04637 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
MAOB P27338 3/20 0.33
PPARG P37231 2/20 0.33
SLC6A9 P48067 2/20 0.33
ALOX5 P09917 1/20 0.33
MAOA P21397 1/20 0.33
PTPN11 Q06124 2/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
USP7 Q93009 1/20 0.32
GRM5 P41594 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL6967291 0.89 ALOX12 (0.36) L3MBTL1MEN1KMT2ANPSR1TDP1
SCHEMBL6965611 0.84 MEN1 (0.43) L3MBTL1MEN1KMT2ANPSR1TDP1
SCHEMBL6960398 0.81 MEN1 (0.38) L3MBTL1MEN1KMT2ANPSR1TDP1
SCHEMBL7077454 0.81 MAOB (0.36) L3MBTL1MEN1KMT2ANPSR1TDP1
SCHEMBL7078163 0.81 MEN1 (0.38) L3MBTL1MEN1KMT2ANPSR1TDP1
SCHEMBL7081564 0.80 MAOB (0.39) L3MBTL1MEN1KMT2ANPSR1TDP1
SCHEMBL6961025 0.79 LMNA (0.36) L3MBTL1MEN1KMT2AUSP7SMN1; SMN2
SCHEMBL6969465 0.79 MAOB (0.38) L3MBTL1MEN1KMT2ANPSR1TDP1
SCHEMBL6974816 0.79 ALOX12 (0.36) L3MBTL1MEN1KMT2ANPSR1TDP1
SCHEMBL6969926 0.78 TP53 (0.36) L3MBTL1MEN1KMT2ANPSR1TDP1

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-6147097-A METHOD FOR TREATING AIDS SHIONOGI & CO., LTD. (JP) 2000-11-14 US disclosed
EP-0786455-A1 IMIDAZOLE DERIVATIVE SHIONOGI & CO., LTD. (JP) 1997-07-30 EP disclosed