SCHEMBL17982010

SCHEMBL17982010

CCCCOCCn1nc(C)cc1NC=C(C(=O)OCC)C(=O)OCC

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.58
NPSR1 Q6W5P4 5/20 0.54
LMNA P02545 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
STAT1 P42224 1/20 0.54
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
KDM4E B2RXH2 4/20 0.53
ALDH1A1 P00352 2/20 0.53
HPGD P15428 1/20 0.53
NPY1R P25929 1/20 0.53
NPY2R P49146 1/20 0.53
DHODH Q02127 4/20 0.42
MAPT P10636 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP1A2 P05177 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL17963146 0.87 GAA (0.67) GAANPSR1LMNASMN1; SMN2STAT1
SCHEMBL17963068 0.84 GAA (0.61) GAANPSR1LMNASMN1; SMN2STAT1
SCHEMBL20418814 0.83 LMNA (0.61) GAANPSR1LMNASMN1; SMN2STAT1
SCHEMBL583369 0.82 GAA (0.70) GAANPSR1LMNASMN1; SMN2STAT1
SCHEMBL582277 0.79 GAA (0.72) GAANPSR1LMNASMN1; SMN2STAT1
SCHEMBL17963246 0.75 GAA (0.60) GAANPSR1LMNASMN1; SMN2STAT1
SCHEMBL17963296 0.75 GAA (0.60) GAANPSR1LMNASMN1; SMN2STAT1
SCHEMBL20418878 0.74 GAA (0.58) GAANPSR1LMNASMN1; SMN2STAT1
SCHEMBL20413735 0.74 LMNA (0.49) GAANPSR1LMNASMN1; SMN2STAT1
SCHEMBL17963372 0.73 GAA (0.57) GAANPSR1LMNASMN1; SMN2STAT1

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-2016123392-A2 PYRAZOLOPYRIMIDINES AS INHIBITORS OF GLUCOCORTICOID RECEPTOR TRANSLOCATION SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2016-08-04 WO disclosed