SCHEMBL8818589

SCHEMBL8818589

COc1cc(-c2nc3c(Cc4ccc(C)cc4)cccc3[nH]2)cc(OC)c1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 8/20 0.55
▸ MGAM O43451 2/20 0.47
▸ GAA P10253 2/20 0.47
▸ SI P14410 2/20 0.47
▸ MGAM2 Q2M2H8 2/20 0.47
▸ DHODH Q02127 1/20 0.44
▸ TP53 P04637 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ PARP2 Q9UGN5 4/20 0.42
▸ MDM4 O15151 1/20 0.42
▸ MDM2 Q00987 1/20 0.42
▸ CHEK2 O96017 1/20 0.42
▸ TNKS O95271 1/20 0.41
▸ TNKS2 Q9H2K2 1/20 0.41
▸ SMPD3 Q9NY59 1/20 0.41
▸ TUBB4A P04350 1/20 0.41
▸ TUBB P07437 1/20 0.41
▸ TUBA3C P0DPH7 1/20 0.41
▸ TUBA1B P68363 1/20 0.41
▸ TUBA4A P68366 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
SCHEMBL8814842 0.91 PARP1 (0.55) PARP1MGAMGAASIMGAM2
SCHEMBL8891814 0.91 PARP1 (0.57) PARP1MGAMGAASIMGAM2
SCHEMBL8818832 0.90 PARP1 (0.54) PARP1MGAMGAASIMGAM2
SCHEMBL8818754 0.90 PARP1 (0.54) PARP1MGAMGAASIMGAM2
SCHEMBL8818794 0.88 PARP1 (0.56) PARP1MGAMGAASIMGAM2
SCHEMBL8818845 0.86 PARP1 (0.53) PARP1MGAMGAASIMGAM2
SCHEMBL8817568 0.86 PARP1 (0.54) PARP1MGAMGAASIMGAM2
SCHEMBL8817577 0.85 PARP1 (0.58) PARP1MGAMGAASIMGAM2
SCHEMBL8814833 0.85 PARP1 (0.53) PARP1MGAMGAASIMGAM2
SCHEMBL8816600 0.82 PARP1 (0.55) 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 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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