SCHEMBL13014189

SCHEMBL13014189

O=C(NC1=CC(=O)[C@H]2O[C@H]2C1=O)c1ccccc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.47
HTT P42858 5/20 0.47
KDM4E B2RXH2 5/20 0.47
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
TP53 P04637 4/20 0.47
HSD17B10 Q99714 4/20 0.47
NPC1 O15118 4/20 0.47
HPGD P15428 3/20 0.47
GAA P10253 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.44
MPO P05164 1/20 0.44
HIF1A Q16665 1/20 0.44
RAB9A P51151 3/20 0.43
POLB P06746 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPK1 P28482 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43

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
SCHEMBL5474018 1.00 LMNA (0.47) LMNAHTTKDM4EMEN1KMT2A
SCHEMBL13014489 0.84 KMT2A (0.50) LMNAHTTKDM4EMEN1KMT2A
SCHEMBL353219 0.81 PRKCI (0.35) KDM4EMEN1KMT2ATP53NPC1
SCHEMBL115015 0.80 P2RX1 (0.44) MEN1KMT2ANPC1RAB9AP2RX1
SCHEMBL5471851 0.75 LMNA (0.45) LMNAHTTKDM4EMEN1KMT2A
Dehydroxymethylepoxyquinomicin SCHEMBL1669417 0.72 PARK7 (0.54) LMNAHTTKDM4EMEN1KMT2A
Dehydroxymethylepoxyquinomicin SCHEMBL14491796 0.72 PARK7 (0.54) LMNAHTTKDM4EMEN1KMT2A
Dehydroxymethylepoxyquinomicin SCHEMBL14504317 0.72 PARK7 (0.54) LMNAHTTKDM4EMEN1KMT2A
Dehydroxymethylepoxyquinomicin SCHEMBL1671089 0.72 PARK7 (0.54) LMNAHTTKDM4EMEN1KMT2A
SCHEMBL5706486 0.68 MEN1 (0.44) LMNAHTTKDM4EMEN1KMT2A

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-2010148042-A1 OXABICYCLO [4.1.O]HEPT-B-EN-S-YLCARBAMOYL DERIVATIVES INHIBITING THE NUCLEAR FACTOR-KAPPA(B) - (NF-KB) PROFECTUS BIOSCIENCES, INC. (US) 2010-12-23 WO disclosed