SCHEMBL8780370

SCHEMBL8780370

CCCCOc1ccc(-c2ccc(/C=C/C(=O)n3nnc4ccccc43)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.63
MGAM O43451 2/20 0.63
AMY1A P0DUB6 2/20 0.63
SI P14410 2/20 0.63
MGAM2 Q2M2H8 2/20 0.63
MAPT P10636 2/20 0.60
NPSR1 Q6W5P4 1/20 0.60
KMT2A Q03164 4/20 0.52
HPGD P15428 1/20 0.52
ALOX15 P16050 1/20 0.52
HSD17B10 Q99714 1/20 0.52
MEN1 O00255 3/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
ASAH1 Q13510 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL8780369 1.00 GAA (0.63) GAAMGAMAMY1ASIMGAM2
SCHEMBL8780417 0.98 GAA (0.61) GAAMGAMAMY1ASIMGAM2
SCHEMBL8780419 0.98 GAA (0.61) GAAMGAMAMY1ASIMGAM2
SCHEMBL27508279 0.97 GAA (0.60) GAAMGAMAMY1ASIMGAM2
SCHEMBL27515413 0.91 MAPT (0.57) GAAMGAMAMY1ASIMGAM2
SCHEMBL27508280 0.90 MAPT (0.61) GAAMGAMAMY1ASIMGAM2
SCHEMBL27482188 0.89 MAPT (0.54) GAAMGAMAMY1ASIMGAM2
SCHEMBL8780426 0.84 MAPT (0.59) GAAMGAMAMY1ASIMGAM2
SCHEMBL8780429 0.84 MAPT (0.59) GAAMGAMAMY1ASIMGAM2
SCHEMBL463197 0.82 MAPT (0.70) GAAMGAMAMY1ASIMGAM2

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
EP-0788511-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-08-13 EP disclosed