SCHEMBL20680690

SCHEMBL20680690

CC(C)N1[C@H](C)CN(C(=O)OC(C)(C)C)C[C@H]1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.47
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HRH3 Q9Y5N1 1/20 0.40
HPGD P15428 1/20 0.40
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
NPC1 O15118 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GPR119 Q8TDV5 1/20 0.38
RECQL P46063 1/20 0.38
EPHX1 P07099 1/20 0.38
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
NAMPT P43490 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL20690383 1.00 NR1H2 (0.47) NR1H2USP2SMN1; SMN2HRH3HPGD
SCHEMBL20690384 1.00 NR1H2 (0.47) NR1H2USP2SMN1; SMN2HRH3HPGD
SCHEMBL25789879 0.88 NR1H2 (0.46) NR1H2USP2SMN1; SMN2HRH3HPGD
SCHEMBL21911293 0.84 NR1H2 (0.51) NR1H2USP2SMN1; SMN2HPGDALDH1A1
SCHEMBL1189634 0.84 NR1H2 (0.51) NR1H2USP2SMN1; SMN2HPGDALDH1A1
SCHEMBL1538186 0.84 NR1H2 (0.51) NR1H2USP2SMN1; SMN2HPGDALDH1A1
SCHEMBL1567999 0.81 NR1H2 (0.46) NR1H2USP2SMN1; SMN2HRH3HPGD
SCHEMBL26551515 0.81 NR1H2 (0.47) NR1H2USP2SMN1; SMN2HPGDALDH1A1
SCHEMBL13744728 0.81 NR1H2 (0.47) NR1H2USP2SMN1; SMN2HPGDALDH1A1
SCHEMBL19701967 0.80 TSHR (0.48) USP2SMN1; SMN2ALDH1A1L3MBTL1

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-2019020657-A1 PYRIDINE-3-SULFONAMIDE COMPOUNDS AS PI3-KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-01-31 WO disclosed