SCHEMBL8818754

SCHEMBL8818754

COc1cc(-c2nc3c(Cc4cccc(C)c4)cccc3[nH]2)cc(OC)c1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 7/20 0.54
▸ MGAM O43451 2/20 0.47
▸ GAA P10253 2/20 0.47
▸ SI P14410 2/20 0.47
▸ MGAM2 Q2M2H8 2/20 0.47
▸ CHEK1 O14757 1/20 0.45
▸ NEK2 P51955 1/20 0.45
▸ LIMK1 P53667 1/20 0.45
▸ TYRO3 Q06418 1/20 0.45
▸ CLK4 Q9HAZ1 1/20 0.45
▸ BRD4 O60885 2/20 0.43
▸ DHODH Q02127 1/20 0.43
▸ MAPT P10636 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ PARP2 Q9UGN5 4/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ TSHR P16473 1/20 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
SCHEMBL8818589 0.90 PARP1 (0.55) PARP1MGAMGAASIMGAM2
SCHEMBL8891814 0.90 PARP1 (0.57) PARP1MGAMGAASIMGAM2
SCHEMBL8817568 0.89 PARP1 (0.54) PARP1MGAMGAASIMGAM2
SCHEMBL8814833 0.88 PARP1 (0.53) PARP1MGAMGAASIMGAM2
SCHEMBL8818794 0.87 PARP1 (0.56) PARP1MGAMGAASIMGAM2
SCHEMBL8814842 0.86 PARP1 (0.55) PARP1MGAMGAASIMGAM2
SCHEMBL8818845 0.85 PARP1 (0.53) PARP1MGAMGAASIMGAM2
SCHEMBL8818832 0.85 PARP1 (0.54) PARP1MGAMGAASIMGAM2
SCHEMBL8817577 0.84 PARP1 (0.58) PARP1MGAMGAASIMGAM2
SCHEMBL28116659 0.83 BRD4 (0.43) PARP1GAACHEK1NEK2LIMK1

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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