SCHEMBL8818794

SCHEMBL8818794

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

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 7/20 0.56
▸ MGAM O43451 6/20 0.51
▸ GAA P10253 6/20 0.51
▸ SI P14410 6/20 0.51
▸ MGAM2 Q2M2H8 6/20 0.51
▸ DHODH Q02127 1/20 0.47
▸ PARP2 Q9UGN5 4/20 0.47
▸ MAPT P10636 3/20 0.46
▸ TP53 P04637 1/20 0.46
▸ BRD4 O60885 1/20 0.43
▸ LMNA P02545 2/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ AMY1A P0DUB6 1/20 0.42
▸ HTT P42858 1/20 0.42

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 0.91 PARP1 (0.58) PARP1MGAMGAASIMGAM2
SCHEMBL8891814 0.90 PARP1 (0.57) PARP1MGAMGAASIMGAM2
SCHEMBL8818853 0.88 PARP1 (0.58) PARP1MGAMGAASIMGAM2
SCHEMBL8816600 0.88 PARP1 (0.55) PARP1MGAMGAASIMGAM2
SCHEMBL8817062 0.88 PARP1 (0.55) PARP1MGAMGAASIMGAM2
SCHEMBL8818738 0.88 PARP1 (0.55) PARP1MGAMGAASIMGAM2
SCHEMBL8818589 0.88 PARP1 (0.55) PARP1MGAMGAASIMGAM2
SCHEMBL8818754 0.87 PARP1 (0.54) PARP1MGAMGAASIMGAM2
SCHEMBL8814842 0.85 PARP1 (0.55) PARP1MGAMGAASIMGAM2
SCHEMBL8814896 0.85 PARP1 (0.53) PARP1MGAMGAASIMGAM2

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
WO-1997033873-A1 METHODS OF TREATING OR PREVENTING INTERSTITIAL CYSTITIS ELI LILLY AND COMPANY (US) 1997-09-18 — — WO disclosed
WO-1997031635-A1 METHODS OF TREATING OR PREVENTING SLEEP APNEA ELI LILLY AND COMPANY (US) 1997-09-04 — — WO disclosed
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