SCHEMBL20042908

SCHEMBL20042908

CCC1c2c(O)nc(C)nc2CN1C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.33
SCN5A Q14524 1/20 0.32
SCN3A Q9NY46 1/20 0.32
GPR119 Q8TDV5 1/20 0.31
PIK3CD O00329 1/20 0.31
PTPN1 P18031 1/20 0.31
GRM5 P41594 1/20 0.31
SCN4A P35499 1/20 0.31
TSHR P16473 1/20 0.31
KLK7 P49862 1/20 0.31
LMNA P02545 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
PARP1 P09874 1/20 0.30

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
SCHEMBL20042845 0.84 MEN1 (0.36) MEN1KMT2AALDH1A1L3MBTL1SCN5A
SCHEMBL20042891 0.83 ALDH1A1 (0.36) MEN1KMT2AALDH1A1L3MBTL1SCN5A
SCHEMBL16035077 0.75 P2RX7 (0.38)
SCHEMBL20042717 0.73 MEN1 (0.36) MEN1KMT2AALDH1A1L3MBTL1PIK3CD
SCHEMBL20042859 0.72 MEN1 (0.35) MEN1KMT2AALDH1A1L3MBTL1SCN5A
SCHEMBL27270438 0.72 MEN1 (0.37) MEN1KMT2AALDH1A1L3MBTL1SCN5A
SCHEMBL20042838 0.69 PDE10A (0.35) MEN1KMT2AALDH1A1L3MBTL1SCN5A
SCHEMBL31615020 0.69 PDE10A (0.35) MEN1KMT2AALDH1A1L3MBTL1SCN5A
SCHEMBL31614910 0.69 PDE10A (0.35) MEN1KMT2AALDH1A1L3MBTL1SCN5A
SCHEMBL31615013 0.69 PDE10A (0.35) MEN1KMT2AALDH1A1L3MBTL1SCN5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018066718-A1 THERAPEUTIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-04-12 WO disclosed