SCHEMBL8814896

SCHEMBL8814896

COc1cc(-c2nc3c(Cc4ccccc4C(F)(F)F)cccc3[nH]2)cc(OC)c1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 8/20 0.53
▸ BRD4 O60885 2/20 0.47
▸ DHODH Q02127 1/20 0.44
▸ MAPT P10636 2/20 0.43
▸ TP53 P04637 2/20 0.43
▸ PARP2 Q9UGN5 3/20 0.42
▸ POLB P06746 1/20 0.41
▸ MGAM O43451 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ SI P14410 1/20 0.40
▸ MGAM2 Q2M2H8 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ TUBB4A P04350 1/20 0.38

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
SCHEMBL8818638 0.88 PARP1 (0.45) PARP1BRD4DHODHMAPTTP53
SCHEMBL8817577 0.87 PARP1 (0.58) PARP1BRD4DHODHMAPTTP53
SCHEMBL8817062 0.86 PARP1 (0.55) PARP1BRD4DHODHMAPTTP53
SCHEMBL8818794 0.85 PARP1 (0.56) PARP1BRD4DHODHMAPTTP53
SCHEMBL8818853 0.84 PARP1 (0.58) PARP1BRD4DHODHMAPTTP53
SCHEMBL8818738 0.84 PARP1 (0.55) PARP1BRD4DHODHMAPTTP53
SCHEMBL8816600 0.84 PARP1 (0.55) PARP1BRD4DHODHMAPTTP53
SCHEMBL8817619 0.84 ACHE (0.40) PARP1BRD4MAPTTP53POLB
SCHEMBL8891814 0.84 PARP1 (0.57) PARP1BRD4DHODHMAPTTP53
SCHEMBL8079646 0.83 BRD4 (0.39) PARP1BRD4MAPTTP53POLB

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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