SCHEMBL17150217

SCHEMBL17150217

CCOC(=O)c1ccncc1OCC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.51
TSHR P16473 1/20 0.49
CDC7 O00311 1/20 0.48
DBF4 Q9UBU7 1/20 0.48
TBXAS1 P24557 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
NPC1 O15118 2/20 0.45
MAPT P10636 2/20 0.45
TP53 P04637 1/20 0.45
CASP1 P29466 1/20 0.45
CSNK1D P48730 1/20 0.43
DPP4 P27487 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 2/20 0.43
RAB9A P51151 1/20 0.43
KDM5A P29375 1/20 0.43

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
SCHEMBL2563447 0.88 NUDT1 (0.47) NUDT1TSHRCDC7DBF4TBXAS1
SCHEMBL10394602 0.87 CA12 (0.49) NUDT1TSHRCDC7DBF4TBXAS1
SCHEMBL28734595 0.87 NUDT1 (0.49) NUDT1TSHRCDC7DBF4TBXAS1
SCHEMBL28734813 0.87 NUDT1 (0.49) NUDT1TSHRCDC7DBF4TBXAS1
SCHEMBL3605826 0.86 TP53 (0.45) NUDT1TSHRCDC7DBF4TBXAS1
SCHEMBL21056814 0.83 KDM4C (0.50) TSHRCA12CA1CA2CA9
SCHEMBL29837473 0.83 TSHR (0.60) NUDT1TSHRCDC7DBF4CA12
SCHEMBL3515887 0.83 TSHR (0.60) NUDT1TSHRCDC7DBF4CA12
SCHEMBL5422256 0.82 ALDH1A1 (0.43) NUDT1TSHRCDC7DBF4TBXAS1
SCHEMBL18422040 0.82 MKNK1 (0.60) TSHRCA12CA1CA2CA9

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-2015152368-A1 OXAZOLIDINONE AND OXAZINANONE DERIVATIVES 大正製薬株式会社 2015-10-08 WO disclosed