SCHEMBL8818778

SCHEMBL8818778

Cc1cccc(-c2nc3c(Cc4ccccc4)cc(O)cc3[nH]2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 5/20 0.49
▸ MGAM O43451 4/20 0.49
▸ SI P14410 4/20 0.49
▸ MGAM2 Q2M2H8 4/20 0.49
▸ NR1I3 Q14994 1/20 0.45
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ DHODH Q02127 4/20 0.44
▸ MMP2 P08253 2/20 0.44
▸ MMP9 P14780 2/20 0.44
▸ MMP8 P22894 2/20 0.44
▸ PIN1 Q13526 1/20 0.43
▸ VSIR Q9H7M9 2/20 0.43
▸ MMP13 P45452 1/20 0.42
▸ PTGES O14684 1/20 0.42
▸ RPS6KA3 P51812 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
SCHEMBL8818857 0.85 PTGES (0.44) GAAMGAMSIMGAM2NR1I3
SCHEMBL8818927 0.83 MGAM (0.41) GAAMGAMSIMGAM2NR1I3
Bromide SCHEMBL8818674 0.81 MGAM (0.60) GAAMGAMSIMGAM2NR1I3
SCHEMBL8818920 0.80 DHODH (0.42) GAAMGAMSIMGAM2NR1I3
SCHEMBL8891323 0.80 DHODH (0.42) GAAMGAMSIMGAM2NR1I3
SCHEMBL8818678 0.78 DYRK3 (0.48) GAAMGAMSIMGAM2NR1I3
Hydrochloric Acid SCHEMBL8816567 0.78 PARP1 (0.48) GAAMGAMSIMGAM2SMN1; SMN2
SCHEMBL8819001 0.78 CHEK2 (0.44) GAAMGAMSIMGAM2NR1I3
SCHEMBL8082476 0.77 ACHE (0.49) GAAMGAMSIMGAM2NR1I3
SCHEMBL8084229 0.77 DHODH (0.40) GAAMGAMSIMGAM2NR1I3

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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