SCHEMBL8780451

SCHEMBL8780451

O=C(c1ccc(-c2ccc(OCCCCCCCCn3cncn3)cc2)cc1)n1nnc2ccccc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 6/20 0.63
AMY1A P0DUB6 6/20 0.63
GAA P10253 6/20 0.63
SI P14410 6/20 0.63
MGAM2 Q2M2H8 6/20 0.63
MAPT P10636 5/20 0.55
KMT2A Q03164 5/20 0.55
LMNA P02545 2/20 0.55
KDM4E B2RXH2 2/20 0.55
MEN1 O00255 2/20 0.55
F12 P00748 4/20 0.52
HPGD P15428 2/20 0.50
ALOX15 P16050 1/20 0.50
HSD17B10 Q99714 1/20 0.50
ALDH1A1 P00352 4/20 0.48
TP53 P04637 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
F2 P00734 1/20 0.47
SLC9A1 P19634 1/20 0.47
NPC1 O15118 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
SCHEMBL8780382 0.87 MGAM (0.66) MGAMAMY1AGAASIMGAM2
SCHEMBL8780422 0.87 MGAM (0.66) MGAMAMY1AGAASIMGAM2
SCHEMBL27482235 0.83 MGAM (0.76) MGAMAMY1AGAASIMGAM2
SCHEMBL27481100 0.82 MGAM (0.93) MGAMAMY1AGAASIMGAM2
SCHEMBL7340170 0.81 MAPT (0.53) MGAMAMY1AGAASIMGAM2
SCHEMBL8780395 0.80 MGAM (0.73) MGAMAMY1AGAASIMGAM2
SCHEMBL6134508 0.80 MGAM (0.80) MGAMAMY1AGAASIMGAM2
SCHEMBL7333590 0.79 MAPT (0.67) MAPTKMT2ALMNAKDM4EMEN1
SCHEMBL8780380 0.78 GAA (0.62) MGAMAMY1AGAASIMGAM2
SCHEMBL27481488 0.76 MGAM (0.67) MGAMAMY1AGAASIMGAM2

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