SCHEMBL8818550

SCHEMBL8818550

Oc1ccc(-c2nc3c(-c4ccccc4)cc(O)cc3[nH]2)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MGAM O43451 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ SI P14410 1/20 0.51
▸ MGAM2 Q2M2H8 1/20 0.51
▸ DHODH Q02127 8/20 0.51
▸ PARP1 P09874 2/20 0.51
▸ TP53 P04637 3/20 0.48
▸ MAPT P10636 3/20 0.48
▸ MAPK13 O15264 2/20 0.48
▸ MAPK12 P53778 2/20 0.48
▸ MAPK11 Q15759 2/20 0.48
▸ MAPK14 Q16539 2/20 0.48
▸ RAF1 P04049 1/20 0.48
▸ BRAF P15056 1/20 0.48
▸ GCGR P47871 1/20 0.48
▸ RPS6KA3 P51812 1/20 0.47
▸ SMPD3 Q9NY59 1/20 0.45

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
SCHEMBL8817544 0.85 MGAM (0.50) MGAMGAASIMGAM2DHODH
SCHEMBL8818574 0.84 GAA (0.64) MGAMGAASIMGAM2DHODH
SCHEMBL9259477 0.79 MAPT (0.54) GAAPARP1MAPT
SCHEMBL8817053 0.77 DHODH (0.65) MGAMGAASIMGAM2DHODH
SCHEMBL7146754 0.74 DHODH (0.62) MGAMGAASIMGAM2DHODH
SCHEMBL8891044 0.73 MGAM (0.68) MGAMGAASIMGAM2DHODH
SCHEMBL31027957 0.73 DHODH (0.59) MGAMGAASIMGAM2DHODH
SCHEMBL10385941 0.72 DHODH (0.52) GAADHODHPARP1TP53MAPT
SCHEMBL18347676 0.71 PARP1 (0.54) GAADHODHPARP1MAPTRPS6KA3
SCHEMBL252964 0.70 MAPK13 (0.85) MGAMGAATP53MAPTMAPK13

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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