SCHEMBL22136757

SCHEMBL22136757

c1ccc(-c2nc(-c3cc(-c4ccncc4)cc(-c4ccc5c(c4)Oc4ccccc4O5)c3)cc(-c3ccc4oc5ccccc5c4c3)n2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MKNK1 Q9BUB5 1/20 0.37
▸ ADORA2A P29274 2/20 0.36
▸ ADORA1 P30542 2/20 0.36
▸ MAPT P10636 5/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ NFKB2 Q00653 1/20 0.36
▸ RELA Q04206 1/20 0.36
▸ PLA2G2A P14555 2/20 0.36
▸ PLA2G4A P47712 2/20 0.36
▸ MEN1 O00255 4/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TP53 P04637 1/20 0.35

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
SCHEMBL22136547 1.00 MKNK1 (0.37) MKNK1ADORA2AADORA1MAPTHSD17B10
SCHEMBL22136772 0.95 KDM4E (0.36) MKNK1ADORA2AADORA1MAPTHSD17B10
SCHEMBL22136622 0.94 ADORA2A (0.40) ADORA2AADORA1MAPTHSD17B10NPC1
SCHEMBL22136542 0.92 MKNK1 (0.42) MKNK1MAPTHSD17B10NPC1RAB9A
SCHEMBL19166063 0.91 MKNK1 (0.41) MKNK1MAPTHSD17B10NPC1RAB9A
SCHEMBL22136438 0.91 MAPT (0.42) MKNK1MAPTHSD17B10NPC1RAB9A
SCHEMBL22136629 0.91 MAPT (0.42) MKNK1MAPTHSD17B10NPC1RAB9A
SCHEMBL22136653 0.90 ADORA2A (0.38) ADORA2AADORA1MAPTHSD17B10NPC1
SCHEMBL19486918 0.90 MKNK1 (0.42) MKNK1MAPTHSD17B10NPC1RAB9A
SCHEMBL19166526 0.90 MKNK1 (0.42) MKNK1MAPTHSD17B10NPC1RAB9A

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-2020130724-A1 ORGANIC LIGHT-EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME 두산솔루스 주식회사 2020-06-25 — — WO disclosed
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