SCHEMBL8513311

SCHEMBL8513311

Oc1ccc2c(c1)C1(COC=N1)c1ccccc1O2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.35
MAPT P10636 4/20 0.35
MEN1 O00255 2/20 0.35
RECQL P46063 2/20 0.35
KMT2A Q03164 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.35
BLM P54132 1/20 0.35
SMAD3 P84022 1/20 0.35
PRMT1 Q99873 1/20 0.35
ACE2 Q9BYF1 1/20 0.35
FTO Q9C0B1 1/20 0.35
BACE1 P56817 1/20 0.31
PDK2 Q15119 1/20 0.31
NPSR1 Q6W5P4 3/20 0.30
GAA P10253 2/20 0.30
LMNA P02545 2/20 0.30
ALPG P10696 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
SCHEMBL2371980 0.83 BACE1 (0.36) MEN1KMT2ABACE1
SCHEMBL2523395 0.81 MAPT (0.34) TRPA1MAPTMEN1RECQLKMT2A
SCHEMBL3273686 0.78 ALOX5 (0.41) HPGDPDK2GAA
SCHEMBL8515496 0.77 TRPA1 (0.35) TRPA1MAPTMEN1RECQLKMT2A
SCHEMBL3273401 0.75 PDK2 (0.41) MEN1KMT2ATDP1PDK2NPSR1
SCHEMBL3273087 0.74 PDK2 (0.45) KMT2AHPGDPDK2GAALMNA
SCHEMBL3272891 0.71 MEN1 (0.44) MEN1KMT2APOLB
SCHEMBL2384534 0.69 BACE1 (0.41) BACE1
SCHEMBL3273289 0.68 BACE1 (0.31) TRPA1BACE1PDK2
SCHEMBL2515626 0.68 BACE1 (0.36) BACE1

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-2012071458-A1 HETEROCYCLIC INHIBITORS OF BETA - SECRETASE FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. (US) 2012-05-31 WO disclosed