SCHEMBL2786809

SCHEMBL2786809

COc1ccc(Nc2cc(Cl)nc(NCc3ccco3)n2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.71
MAPT P10636 11/20 0.61
ALDH1A1 P00352 8/20 0.61
KMT2A Q03164 7/20 0.61
MEN1 O00255 6/20 0.61
MAPK1 P28482 4/20 0.61
NPSR1 Q6W5P4 3/20 0.61
SMN1; SMN2 Q16637 5/20 0.57
KDM4E B2RXH2 2/20 0.57
TDP1 Q9NUW8 4/20 0.56
LMNA P02545 4/20 0.56
GAA P10253 3/20 0.55
PKM P14618 1/20 0.54
HPGD P15428 3/20 0.53
POLB P06746 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.52
ALOX12 P18054 1/20 0.52
SLC2A1 P11166 1/20 0.52
RECQL P46063 1/20 0.50
KCNH3 Q9ULD8 2/20 0.49

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 0.85 EGFR (0.72) EGFRMAPTALDH1A1KMT2AMEN1
SCHEMBL2880220 0.85 MAPT (0.70) EGFRMAPTALDH1A1KMT2AMEN1
SCHEMBL2808606 0.78 MAPT (0.74) EGFRMAPTALDH1A1KMT2AMEN1
SCHEMBL1391173 0.78 EGFR (0.79) EGFRMAPTALDH1A1KMT2AMEN1
SCHEMBL9316001 0.78 LMNA (0.47) EGFRMAPTALDH1A1KMT2AMEN1
SCHEMBL13087238 0.78 KMT2A (0.60) EGFRMAPTKMT2AMEN1MAPK1
SCHEMBL1390891 0.77 EGFR (0.73) EGFRMAPTALDH1A1KMT2AMEN1
SCHEMBL31744573 0.76 EGFR (0.64) EGFRMAPTALDH1A1KMT2AMEN1
SCHEMBL10997330 0.76 MAPT (0.56) MAPTALDH1A1KMT2AMEN1MAPK1
SCHEMBL1390779 0.76 MAPT (1.00) EGFRMAPTALDH1A1KMT2AMEN1

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