SCHEMBL29023331

SCHEMBL29023331

COc1ccc(N2CCN(Cc3ccc(O)c4occc34)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.55
HTT P42858 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
LMNA P02545 1/20 0.55
TP53 P04637 2/20 0.50
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
GAA P10253 2/20 0.49
MAPK1 P28482 1/20 0.47
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 2/20 0.47
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
DRD3 P35462 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
P4HB P07237 1/20 0.45
SMO Q99835 1/20 0.45
USP2 O75604 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL30299444 1.00 MAPT (0.55) MAPTHTTTDP1LMNATP53
SCHEMBL29023336 0.87 LMNA (0.52) MAPTLMNATP53GAAALDH1A1
SCHEMBL30299422 0.87 LMNA (0.52) MAPTLMNATP53GAAALDH1A1
SCHEMBL30299419 0.85 L3MBTL1 (0.49) MAPTHTTTDP1LMNAKMT2A
SCHEMBL29023338 0.85 TSHR (0.52) MAPTHTTTDP1LMNATP53
SCHEMBL30299415 0.85 KDM4E (0.50) MAPTLMNAKMT2AGAAALDH1A1
SCHEMBL29023330 0.85 KDM4E (0.50) MAPTLMNAKMT2AGAAALDH1A1
SCHEMBL30299420 0.85 TSHR (0.52) MAPTHTTTDP1LMNATP53
SCHEMBL30299428 0.84 KDM4E (0.59) MAPTHTTTDP1LMNATP53
SCHEMBL29023329 0.84 KDM4E (0.59) MAPTHTTTDP1LMNATP53

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
CN-109879840-B 4-piperazinemethyl-7-hydroxybenzofuran compound and medical application thereof 沈阳大学 2023-04-11 CN disclosed