SCHEMBL13282934

SCHEMBL13282934

CNC1CN(C(=O)OC(C)(C)C)C[C@@H]1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.46
USP30 Q70CQ3 2/20 0.41
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
EPHX1 P07099 1/20 0.40
NAMPT P43490 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
HPGD P15428 1/20 0.39
EPHX2 P34913 1/20 0.38
PDE4B Q07343 1/20 0.37
RECQL P46063 1/20 0.37
PTPN2 P17706 1/20 0.37
PTPN1 P18031 1/20 0.37
PTPN6 P29350 1/20 0.37
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL391518 1.00 NR1H2 (0.46) NR1H2USP30USP2SMN1; SMN2EPHX1
SCHEMBL762294 1.00 NR1H2 (0.46) NR1H2USP30USP2SMN1; SMN2EPHX1
SCHEMBL3567347 1.00 NR1H2 (0.46) NR1H2USP30USP2SMN1; SMN2EPHX1
SCHEMBL19881453 1.00 NR1H2 (0.46) NR1H2USP30USP2SMN1; SMN2EPHX1
SCHEMBL14303516 1.00 NR1H2 (0.46) NR1H2USP30USP2SMN1; SMN2EPHX1
SCHEMBL12458213 0.89 NR1H2 (0.45) NR1H2USP30USP2SMN1; SMN2EPHX1
SCHEMBL31084556 0.86 EPHX1 (0.47) NR1H2USP2SMN1; SMN2EPHX1HPGD
SCHEMBL18502917 0.86 EPHX1 (0.47) NR1H2USP2SMN1; SMN2EPHX1HPGD
SCHEMBL20121454 0.86 EPHX1 (0.47) NR1H2USP2SMN1; SMN2EPHX1HPGD
SCHEMBL24098660 0.85 NR1H2 (0.45) NR1H2USP30USP2SMN1; SMN2EPHX1

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-2382214-B1 METHOD OF PREPARING (+)-1,4-DIHYDRO-7-[(3S,4S)-3-METHOXY-4-(METHYLAMINO)-1-PYRROLIDINYL]-4-OXO-1-(2-THIAZOLYL)-1,8-NAPHTHYRIDINE-3-CARBOXYLIC ACID SUNESIS PHARMACEUTICALS INC (US) 2017-07-19 EP disclosed
WO-2010078294-A1 METHOD OF PREPARING (+)-1,4-DIHYDRO-7-[(3S,4S)-3METHOXY-4-(METHYLAMINO)-1-PYRROLIDINYL]-4-OXO-1-(2-THIAZOLYL)-1,8-NAPHTHYRIDINE-3-CARBOXYLIC ACID SUNESIS PHARMACEUTICAL, INC. (US) 2010-07-08 WO disclosed