SCHEMBL8818738

SCHEMBL8818738

COc1cc(-c2nc3c(Cc4ccccc4I)cccc3[nH]2)cc(OC)c1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 7/20 0.55
▸ MAPT P10636 3/20 0.47
▸ TP53 P04637 2/20 0.47
▸ DHODH Q02127 1/20 0.47
▸ BRD4 O60885 1/20 0.43
▸ MGAM O43451 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ SI P14410 1/20 0.42
▸ MGAM2 Q2M2H8 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ HPGD P15428 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ PARP2 Q9UGN5 3/20 0.41
▸ TUBB4A P04350 3/20 0.41
▸ TUBB P07437 3/20 0.41
▸ TUBA3C P0DPH7 3/20 0.41
▸ TUBA1B P68363 3/20 0.41

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
SCHEMBL8817577 0.90 PARP1 (0.58) PARP1MAPTTP53DHODHBRD4
SCHEMBL8818794 0.88 PARP1 (0.56) PARP1MAPTTP53DHODHBRD4
SCHEMBL8816600 0.87 PARP1 (0.55) PARP1MAPTTP53DHODHBRD4
SCHEMBL8817062 0.87 PARP1 (0.55) PARP1MAPTTP53DHODHBRD4
SCHEMBL8818853 0.87 PARP1 (0.58) PARP1MAPTTP53DHODHBRD4
SCHEMBL8891814 0.86 PARP1 (0.57) PARP1MAPTTP53DHODHBRD4
SCHEMBL8814896 0.84 PARP1 (0.53) PARP1MAPTTP53DHODHBRD4
SCHEMBL8814842 0.82 PARP1 (0.55) PARP1MAPTTP53DHODHMGAM
SCHEMBL8892242 0.82 PARP1 (0.55) PARP1MAPTTP53DHODHBRD4
SCHEMBL8818589 0.82 PARP1 (0.55) PARP1MAPTTP53DHODHBRD4

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-1997031635-A1 METHODS OF TREATING OR PREVENTING SLEEP APNEA ELI LILLY AND COMPANY (US) 1997-09-04 — — WO disclosed
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