SCHEMBL16650499

SCHEMBL16650499

O=C(NC1=CC(=O)C2OC2C1O)Oc1cnc(-c2ccccc2)nc1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARK7 Q99497 1/20 0.44
KMT2A Q03164 5/20 0.33
MEN1 O00255 4/20 0.33
LMNA P02545 4/20 0.33
ALDH1A1 P00352 2/20 0.33
MTOR P42345 1/20 0.31
FOS P01100 1/20 0.31
JUN P05412 1/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
GAA P10253 2/20 0.31
CYP1A2 P05177 2/20 0.30
CYP2C9 P11712 2/20 0.30
CYP2C19 P33261 2/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
MAPT P10636 1/20 0.30
HSP90AA1 P07900 1/20 0.30

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
SCHEMBL16650230 0.84 PARK7 (0.42) PARK7
SCHEMBL353845 0.83 PARK7 (0.50) PARK7KMT2AMEN1LMNAALDH1A1
SCHEMBL16649887 0.78 PARK7 (0.38) PARK7ALDH1A1NFKB1GAAMAPT
SCHEMBL16650003 0.75 PARK7 (0.43) PARK7
SCHEMBL16649823 0.71 PARK7 (0.48) PARK7ALDH1A1TSHRMAPT
SCHEMBL1286225 0.65 PARK7 (0.52) PARK7KMT2AMEN1LMNAALDH1A1
Dehydroxymethylepoxyquinomicin SCHEMBL1669417 0.65 PARK7 (0.54) PARK7KMT2AMEN1LMNAALDH1A1
SCHEMBL5285137 0.64 ALDH1A1 (0.54) KMT2AMEN1LMNAALDH1A1FOS
SCHEMBL353155 0.63 PARK7 (0.48) PARK7JUNNFKB1NFKB2RELA
SCHEMBL25277671 0.62 KMT2A (0.68) KMT2AMEN1ALDH1A1GAACYP1A2

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-2411376-B1 INHIBITORS OF NF-KB PROFECTUS BIOSCIENCES INC (US) 2015-04-22 EP claimed