SCHEMBL13087302

SCHEMBL13087302

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

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.72
LMNA P02545 5/20 0.57
MAPT P10636 11/20 0.56
ALDH1A1 P00352 9/20 0.56
KMT2A Q03164 8/20 0.56
MEN1 O00255 7/20 0.56
MAPK1 P28482 4/20 0.56
NPSR1 Q6W5P4 2/20 0.56
SMN1; SMN2 Q16637 5/20 0.54
HPGD P15428 3/20 0.54
KDM4E B2RXH2 3/20 0.53
TDP1 Q9NUW8 4/20 0.52
RECQL P46063 1/20 0.51
GAA P10253 3/20 0.51
PKM P14618 1/20 0.50
ALOX12 P18054 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
TP53 P04637 1/20 0.48

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
SCHEMBL2808606 0.86 MAPT (0.74) EGFRLMNAMAPTALDH1A1KMT2A
SCHEMBL2786809 0.85 EGFR (0.71) EGFRLMNAMAPTALDH1A1KMT2A
SCHEMBL2880220 0.79 MAPT (0.70) EGFRLMNAMAPTALDH1A1KMT2A
SCHEMBL31744573 0.77 EGFR (0.64) EGFRLMNAMAPTALDH1A1KMT2A
SCHEMBL7256671 0.76 KMT2A (0.52) EGFRLMNAMAPTALDH1A1KMT2A
SCHEMBL1390891 0.75 EGFR (0.73) EGFRLMNAMAPTALDH1A1KMT2A
SCHEMBL31620286 0.75 ALDH1A1 (0.55) EGFRLMNAMAPTALDH1A1KMT2A
SCHEMBL27798554 0.74 KMT2A (0.48) EGFRLMNAMAPTALDH1A1KMT2A
SCHEMBL1391173 0.74 EGFR (0.79) EGFRLMNAMAPTALDH1A1KMT2A
SCHEMBL31620269 0.73 PDE5A (0.63) EGFRLMNAMAPTALDH1A1KMT2A

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