SCHEMBL29680909

SCHEMBL29680909

O=C(O)c1c(F)cnc2ccc(N3CCOCC3)cc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
TDP1 Q9NUW8 3/20 0.61
L3MBTL1 Q9Y468 3/20 0.61
KDM4E B2RXH2 1/20 0.61
ALDH1A1 P00352 1/20 0.61
POLB P06746 1/20 0.61
MAPT P10636 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
CLK1 P49759 2/20 0.46
DYRK1A Q13627 1/20 0.46
KMO O15229 1/20 0.45
TDO2 P48775 1/20 0.44
IDO2 Q6ZQW0 1/20 0.44
PRKDC P78527 5/20 0.44
PIK3CD O00329 2/20 0.44
PIK3CA P42336 2/20 0.44

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
SCHEMBL24532111 1.00 MEN1 (0.61) MEN1KMT2ATDP1L3MBTL1KDM4E
SCHEMBL29681249 0.83 MAPT (0.57) MEN1KMT2ATDP1L3MBTL1KDM4E
SCHEMBL24532143 0.83 MAPT (0.57) MEN1KMT2ATDP1L3MBTL1KDM4E
SCHEMBL2899405 0.78 MEN1 (0.61) MEN1KMT2ATDP1L3MBTL1KDM4E
SCHEMBL24532295 0.76 MEN1 (0.55) MEN1KMT2ATDP1L3MBTL1KDM4E
SCHEMBL29681119 0.76 MEN1 (0.55) MEN1KMT2ATDP1L3MBTL1KDM4E
SCHEMBL11706489 0.74 MEN1 (0.47) MEN1KMT2ATDP1L3MBTL1KDM4E
SCHEMBL4215471 0.73 KMO (0.55) MEN1KMT2ATDP1L3MBTL1KDM4E
SCHEMBL2899403 0.73 MAPT (0.48) MEN1KMT2ATDP1L3MBTL1KDM4E
SCHEMBL18394788 0.72 KMO (0.51) MEN1KMT2ATDP1L3MBTL1KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4263535-A1 N-(2-(4-CYANOTHIAZOLIDIN-3-YL)-2-OXOETHYL)- QUINOLINE-4-CARBOXAMIDES Astrazeneca AB (SE) 2023-10-25 EP disclosed
WO-2022130270-A1 N-(2-(4-CYANOTHIAZOLIDIN-3-YL)-2-OXOETHYL)- QUINOLINE-4-CARBOXAMIDES ASTRAZENECA AB (SE) 2022-06-23 WO disclosed