SCHEMBL6896101

SCHEMBL6896101

N#CN1CCN(C(=O)COc2ccccc2)CC1

nearest known ligand 0.77

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.77
KMT2A Q03164 3/20 0.77
USP2 O75604 1/20 0.65
GAA P10253 1/20 0.65
KDM4E B2RXH2 2/20 0.60
POLB P06746 2/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
TDP1 Q9NUW8 1/20 0.60
ME2 P23368 1/20 0.59
ME1 P48163 1/20 0.59
ME3 Q16798 1/20 0.59
LMNA P02545 4/20 0.57
ALDH1A1 P00352 3/20 0.57
SMN1; SMN2 Q16637 1/20 0.56
MAPK1 P28482 1/20 0.56
GPR183 P32249 2/20 0.54
MAPT P10636 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54

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
Carbamic Acid SCHEMBL6896426 0.96 MEN1 (0.70) MEN1KMT2AUSP2GAAKDM4E
SCHEMBL10721826 0.87 MEN1 (1.00) MEN1KMT2AUSP2GAAKDM4E
SCHEMBL29516320 0.81 MEN1 (0.86) MEN1KMT2AUSP2GAAKDM4E
SCHEMBL6390973 0.80 MEN1 (0.84) MEN1KMT2AUSP2GAAKDM4E
SCHEMBL14578666 0.80 L3MBTL1 (0.89) MEN1KMT2AUSP2GAAKDM4E
SCHEMBL10064244 0.80 MEN1 (0.83) MEN1KMT2AUSP2GAAKDM4E
SCHEMBL2678356 0.79 MEN1 (0.81) MEN1KMT2AUSP2GAAKDM4E
SCHEMBL24893096 0.77 MEN1 (0.72) MEN1KMT2AUSP2GAAKDM4E
SCHEMBL652552 0.77 MEN1 (0.78) MEN1KMT2AUSP2GAAKDM4E
SCHEMBL8320871 0.77 ALDH1A1 (0.79) MEN1KMT2AUSP2GAAKDM4E

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-1126833-A4 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES INC (US) 2004-09-08 EP disclosed
EP-1126833-A2 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2001-08-29 EP disclosed
WO-2000025768-A1 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2000-05-11 WO disclosed