SCHEMBL2808606

SCHEMBL2808606

CCOc1nc(NCc2ccco2)cc(Nc2ccc(OC)cc2)n1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.74
ALDH1A1 P00352 8/20 0.74
MEN1 O00255 6/20 0.74
KMT2A Q03164 6/20 0.74
MAPK1 P28482 4/20 0.74
NPSR1 Q6W5P4 3/20 0.74
EGFR P00533 1/20 0.56
SMN1; SMN2 Q16637 5/20 0.52
HPGD P15428 3/20 0.52
KDM4E B2RXH2 2/20 0.50
PDE4B Q07343 1/20 0.50
PDE4D Q08499 1/20 0.50
TDP1 Q9NUW8 4/20 0.48
GAA P10253 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
HTT P42858 1/20 0.48
PKM P14618 1/20 0.48
LMNA P02545 3/20 0.47
ALOX12 P18054 1/20 0.46

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
SCHEMBL13087302 0.86 EGFR (0.72) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL2880220 0.85 MAPT (0.70) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL1390779 0.85 MAPT (1.00) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL2786809 0.78 EGFR (0.71) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL1391165 0.76 MAPT (0.73) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL1391437 0.76 MAPT (0.79) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL1390891 0.75 EGFR (0.73) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL31744573 0.75 EGFR (0.64) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL1391522 0.74 MAPT (0.76) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL1390636 0.73 MAPT (0.66) MAPTALDH1A1MEN1KMT2AMAPK1

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-2010118367-A2 ANTIVIRAL PYRIMIDINES PROGENICS PHARMACEUTICALS, INC. (US) 2010-10-14 WO disclosed