SCHEMBL7701387

SCHEMBL7701387

COc1ccc(OC)c(NC(=O)c2nc(-c3ccccc3)oc2-c2ccc(NC(C)=O)cc2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.69
ALDH1A1 P00352 6/20 0.69
KDM4E B2RXH2 5/20 0.69
LMNA P02545 2/20 0.69
HTT P42858 2/20 0.57
GAA P10253 2/20 0.53
RXFP1 Q9HBX9 1/20 0.48
HPGD P15428 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
HSD17B10 Q99714 2/20 0.48
TSHR P16473 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
STAT3 P40763 1/20 0.47
ATR Q13535 2/20 0.46
CASP1 P29466 1/20 0.45
PPARG P37231 1/20 0.45
NCOA2 Q15596 1/20 0.45
NCOA1 Q15788 1/20 0.45
NR2E3 Q9Y5X4 1/20 0.45

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
SCHEMBL7693763 0.93 KDM4E (0.58) MAPTALDH1A1KDM4ELMNAHTT
SCHEMBL7699621 0.91 MAPT (0.59) MAPTALDH1A1KDM4ELMNAHTT
SCHEMBL7699146 0.90 MAPT (0.57) MAPTALDH1A1KDM4ELMNAHTT
SCHEMBL7698787 0.89 KDM4E (0.58) MAPTALDH1A1KDM4ELMNAHTT
SCHEMBL7696422 0.89 MAPT (0.64) MAPTALDH1A1KDM4ELMNAHTT
SCHEMBL7698000 0.88 KDM4E (0.65) MAPTALDH1A1KDM4ELMNAGAA
SCHEMBL7695925 0.88 MAPT (0.63) MAPTALDH1A1KDM4ELMNAHTT
SCHEMBL7699245 0.87 KDM4E (0.52) MAPTALDH1A1KDM4ELMNAHTT
SCHEMBL7698234 0.86 MAPT (0.61) MAPTALDH1A1KDM4ELMNAHTT
SCHEMBL7703233 0.82 KDM4E (0.73) MAPTALDH1A1KDM4ELMNAGAA

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-2002064558-A2 OXAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS CYTOKINE INHIBITORS SANKYO COMPANY, LIMITED (JP) 2002-08-22 WO disclosed