SCHEMBL13898543

SCHEMBL13898543

CCOc1ccnc2ccc(/C=C3\SC(NC(CO)c4ccccc4)=NC3=O)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.42
KMT2A Q03164 7/20 0.42
GAA P10253 3/20 0.42
ALOX5 P09917 2/20 0.39
MAPT P10636 5/20 0.38
ALDH1A1 P00352 4/20 0.38
RECQL P46063 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
EGFR P00533 1/20 0.38
POLB P06746 2/20 0.37
MAPK1 P28482 1/20 0.37
OPRK1 P41145 1/20 0.37
BLM P54132 1/20 0.37
HPGD P15428 4/20 0.36
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CISD1 Q9NZ45 1/20 0.36
PIM1 P11309 2/20 0.35

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
SCHEMBL13233381 1.00 MEN1 (0.42) MEN1KMT2AGAAALOX5MAPT
SCHEMBL14437205 0.93 EGFR (0.39) MEN1KMT2AGAAALOX5MAPT
SCHEMBL14437258 0.91 MAPK1 (0.36) MEN1KMT2AGAAALOX5EGFR
SCHEMBL3025813 0.87 EGFR (0.37) EGFRMAPK1DYRK1A
SCHEMBL14437218 0.87 HPGD (0.38) HPGDPIM1CLK2DYRK1APIK3CD
SCHEMBL13956099 0.83 ALOX5 (0.36) MEN1KMT2AGAAALOX5MAPT
SCHEMBL4871699 0.82 CDK1 (0.49) MEN1KMT2AGAAALOX5MAPT
SCHEMBL4872298 0.82 CDK1 (0.49) MEN1KMT2AGAAALOX5MAPT
SCHEMBL4866405 0.82 CDK1 (0.49) MEN1KMT2AGAAALOX5MAPT
SCHEMBL14452559 0.80 IRAK4 (0.38) ALOX5MAPTEGFRMAPK1CISD1

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-2037270-A2 Tumor models employing green fluorescent protein F. HOFFMANN-LA ROCHE AG (CH) 2009-03-18 EP disclosed
EP-1840570-A1 Tumor models employing green fluorescent protein F. HOFFMANN-LA ROCHE AG (CH) 2007-10-03 EP disclosed