SCHEMBL30452854

SCHEMBL30452854

Nc1ncc(-c2ccc(C(=O)NCCN3CCOCC3)cc2)nc1OCc1cccc(F)c1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 9/20 0.50
HPGDS O60760 3/20 0.49
ATR Q13535 3/20 0.47
HPGD P15428 2/20 0.46
MAP4K4 O95819 1/20 0.44
KDM4E B2RXH2 1/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GLA P06280 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
HSD17B10 Q99714 1/20 0.44
EPHX2 P34913 1/20 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
SCHEMBL488001 1.00 CD274 (0.50) CD274HPGDSATRHPGDMAP4K4
SCHEMBL10216349 0.93 MAP4K4 (0.52) CD274HPGDSATRHPGDMAP4K4
SCHEMBL5482536 0.86 CD274 (0.53) CD274HPGDSHPGDMAP4K4EPHX2
SCHEMBL488293 0.83 ATR (0.48) ATRMAP4K4
SCHEMBL488441 0.82 ATR (0.51) ATRHPGDMAP4K4MAPT
SCHEMBL30454216 0.82 ATR (0.51) ATRHPGDMAP4K4MAPT
SCHEMBL30453653 0.82 ATR (0.54) ATR
SCHEMBL487938 0.82 ATR (0.54) ATR
SCHEMBL30453023 0.82 CD274 (0.50) CD274HPGDSATRHPGDMAP4K4
SCHEMBL488479 0.82 CD274 (0.50) CD274HPGDSATRHPGDMAP4K4

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
CN-113181362-B Medicament for preventing and/or treating amyotrophic lateral sclerosis 国立大学法人京都大学 2023-06-13 CN disclosed