SCHEMBL17963100

SCHEMBL17963100

CCOC(=O)c1nnc(C)n1Cc1ccc(OC)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.51
▸ GAA P10253 4/20 0.51
▸ GLA P06280 4/20 0.51
▸ ALDH1A1 P00352 3/20 0.51
▸ NPSR1 Q6W5P4 2/20 0.51
▸ MAPK1 P28482 2/20 0.51
▸ USP2 O75604 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ CASP1 P29466 1/20 0.51
▸ CASP7 P55210 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ KMT2A Q03164 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ FEN1 P39748 1/20 0.48
▸ MAPT P10636 2/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ UCHL1 P09936 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ PDE4D Q08499 1/20 0.44
▸ TARBP2 Q15633 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
SCHEMBL11418276 0.87 KMT2A (0.51) KDM4EGAAGLAALDH1A1NPSR1
SCHEMBL5912674 0.78 ERCC5 (0.57) KDM4EGAAGLAALDH1A1NPSR1
SCHEMBL8628843 0.77 UCHL1 (0.45) KDM4EGAAGLAALDH1A1NPSR1
SCHEMBL25428155 0.75 ALDH1A1 (0.52) KDM4EGAAGLAALDH1A1NPSR1
SCHEMBL20413798 0.75 KDM4E (0.56) KDM4EGAAGLAALDH1A1NPSR1
SCHEMBL1257597 0.74 ALDH1A1 (0.76) GLAALDH1A1MAPK1HPGDKMT2A
SCHEMBL8940857 0.74 TSHR (0.59) KDM4EGAAGLAALDH1A1NPSR1
SCHEMBL12556339 0.74 KMT2A (0.50) KDM4EGAAGLAALDH1A1NPSR1
SCHEMBL15998958 0.74 TSHR (0.74) KDM4EGAAGLAALDH1A1NPSR1
SCHEMBL31138462 0.73 IDO1 (0.50) KDM4EGAAGLAALDH1A1NPSR1

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
Send feedback