SCHEMBL8816905

SCHEMBL8816905

COc1cc(-c2nc3c(Cc4ccc(Cl)cc4Cl)cccc3[nH]2)cc(OC)c1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 5/20 0.53
▸ TP53 P04637 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ AMY1A P0DUB6 4/20 0.47
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ DHODH Q02127 1/20 0.42
▸ MGAM O43451 3/20 0.42
▸ GAA P10253 3/20 0.42
▸ SI P14410 3/20 0.42
▸ MGAM2 Q2M2H8 3/20 0.42
▸ PARP2 Q9UGN5 2/20 0.40
▸ TUBB4A P04350 3/20 0.39
▸ TUBB P07437 3/20 0.39
▸ TUBA3C P0DPH7 3/20 0.39
▸ TUBA1B P68363 3/20 0.39
▸ TUBA4A P68366 3/20 0.39
▸ TUBB4B P68371 3/20 0.39
▸ TUBB3 Q13509 3/20 0.39

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
SCHEMBL8816600 0.90 PARP1 (0.55) PARP1TP53MAPTAMY1AKDM4E
SCHEMBL8818832 0.87 PARP1 (0.54) PARP1TP53MAPTAMY1AHSD17B10
SCHEMBL8814833 0.86 PARP1 (0.53) PARP1TP53MAPTAMY1ADHODH
SCHEMBL8892242 0.86 PARP1 (0.55) PARP1TP53MAPTKDM4EALDH1A1
SCHEMBL8817577 0.85 PARP1 (0.58) PARP1TP53MAPTAMY1AKDM4E
SCHEMBL8818845 0.83 PARP1 (0.53) PARP1TP53MAPTKDM4EALDH1A1
SCHEMBL8818794 0.83 PARP1 (0.56) PARP1TP53MAPTAMY1AKDM4E
SCHEMBL8817062 0.82 PARP1 (0.55) PARP1TP53MAPTAMY1AKDM4E
SCHEMBL8818853 0.82 PARP1 (0.58) PARP1TP53MAPTAMY1AKDM4E
SCHEMBL8818738 0.82 PARP1 (0.55) PARP1TP53MAPTKDM4EALDH1A1

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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