SCHEMBL8817526

SCHEMBL8817526

Cc1cccc(-c2nc3c(Cc4ccccc4C(F)(F)F)cc(OC(C)CN(C)C)cc3[nH]2)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I3 Q14994 1/20 0.34
▸ MDM2 Q00987 1/20 0.33
▸ MAPK14 Q16539 1/20 0.33
▸ MGAM O43451 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ SI P14410 1/20 0.33
▸ MGAM2 Q2M2H8 1/20 0.33
▸ PTGES O14684 1/20 0.33
▸ TRPV1 Q8NER1 1/20 0.32
▸ DYRK3 O43781 1/20 0.31
▸ MAP4K4 O95819 1/20 0.31
▸ PIM1 P11309 1/20 0.31
▸ RPS6KB1 P23443 1/20 0.31
▸ CSNK2A1 P68400 1/20 0.31
▸ PKN2 Q16513 1/20 0.31
▸ PIM3 Q86V86 1/20 0.31
▸ BRSK1 Q8TDC3 1/20 0.31
▸ AURKB Q96GD4 1/20 0.31
▸ HIPK2 Q9H2X6 1/20 0.31
▸ CLK4 Q9HAZ1 1/20 0.31

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
SCHEMBL8814868 0.90 PRMT5 (0.32) MGAMGAASIMGAM2PTGES
SCHEMBL8818534 0.88 PTGES (0.38) NR1I3MAPK14MGAMGAASI
SCHEMBL8818545 0.85 DYRK3 (0.45) NR1I3MGAMGAASIMGAM2
SCHEMBL8818531 0.84 CHEK2 (0.41) NR1I3MGAMGAASIMGAM2
SCHEMBL8818801 0.83 ACHE (0.44) NR1I3MDM2MGAMGAASI
SCHEMBL8818537 0.81 RPS6KA3 (0.34) DYRK3MAP4K4PIM1RPS6KB1CSNK2A1
SCHEMBL8818927 0.79 MGAM (0.41) NR1I3MAPK14MGAMGAASI
SCHEMBL8814966 0.78 KDM4E (0.35) MGAMGAASIMGAM2DYRK3
SCHEMBL8916477 0.77 PPARG (0.37) NR1I3MDM2MGAMGAASI
SCHEMBL8817000 0.76 PRMT5 (0.34) MGAMGAASIMGAM2PTGES

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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