SCHEMBL28857697

SCHEMBL28857697

O=C(OCc1ccccc1)c1cc(Cl)c(OCc2ccccc2)c(Cl)c1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.60
TDP1 Q9NUW8 2/20 0.60
SLC6A2 P23975 1/20 0.60
SLC6A3 Q01959 1/20 0.60
LMNA P02545 4/20 0.55
KDM4E B2RXH2 1/20 0.55
HPGD P15428 2/20 0.55
POLB P06746 1/20 0.50
ALDH1A1 P00352 4/20 0.49
RAB9A P51151 3/20 0.49
MAPT P10636 2/20 0.49
NPC1 O15118 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
GLRA1 P23415 1/20 0.48
MRGPRX4 Q96LA9 1/20 0.47
THRA P10827 1/20 0.47
THRB P10828 1/20 0.47

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
SCHEMBL4241842 0.90 KDM4E (0.62) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL31056336 0.88 KMT2A (0.50) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL3229895 0.88 KDM4E (0.60) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL8506243 0.88 TDP1 (0.52) KMT2ATDP1ALDH1A1MAPTMRGPRX4
SCHEMBL1458413 0.87 LMNA (0.74) KMT2ALMNAKDM4EHPGDALDH1A1
SCHEMBL1457712 0.86 MEN1 (0.63) KMT2ALMNAKDM4EHPGDRAB9A
SCHEMBL4901522 0.84 GLRA1 (0.65) KMT2ALMNAKDM4EHPGDALDH1A1
SCHEMBL4311512 0.83 TDP1 (0.62) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL22015355 0.83 LMNA (0.78) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL794412 0.83 KMT2A (0.62) KMT2ATDP1SLC6A2SLC6A3LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115160314-B Heterocyclic aromatic amide compound and preparation method and application thereof 南方医科大学 2023-12-05 CN disclosed
CN-115160314-A Heterocyclic aromatic amide compound and preparation method and application thereof 南方医科大学 2022-10-11 CN disclosed