SCHEMBL22136647

SCHEMBL22136647

c1ccc(-c2nc(-c3cc(-c4ccc5c(c4)Oc4ccccc4O5)cc(-c4ccc5c(c4)Oc4ccccc4O5)c3)cc(-c3ccc4c(c3)oc3ccccc34)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 5/20 0.39
▸ ADORA1 P30542 5/20 0.39
▸ HCRTR1 O43613 1/20 0.38
▸ MEN1 O00255 7/20 0.37
▸ KMT2A Q03164 7/20 0.37
▸ MAPT P10636 6/20 0.37
▸ ALDH1A1 P00352 4/20 0.37
▸ HPGD P15428 4/20 0.37
▸ NTSR1 P30989 1/20 0.37
▸ KDM4E B2RXH2 4/20 0.36
▸ LMNA P02545 3/20 0.36
▸ GLA P06280 1/20 0.36
▸ ADORA3 P0DMS8 4/20 0.36
▸ PLA2G2A P14555 2/20 0.35
▸ PLA2G4A P47712 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ PLA2G10 O15496 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
SCHEMBL22136653 0.98 ADORA2A (0.38) ADORA2AADORA1HCRTR1MEN1KMT2A
SCHEMBL22136622 0.94 ADORA2A (0.40) ADORA2AADORA1MEN1KMT2AMAPT
SCHEMBL22136772 0.94 KDM4E (0.36) ADORA2AADORA1HCRTR1MEN1KMT2A
SCHEMBL22136767 0.92 PGR (0.39) ADORA2AADORA1MEN1KMT2AMAPT
SCHEMBL17899223 0.89 HCRTR1 (0.41) ADORA2AADORA1HCRTR1MEN1KMT2A
SCHEMBL22136757 0.88 MKNK1 (0.37) ADORA2AADORA1MEN1KMT2AMAPT
SCHEMBL22136547 0.88 MKNK1 (0.37) ADORA2AADORA1MEN1KMT2AMAPT
SCHEMBL21029422 0.88 MEN1 (0.44) ADORA2AADORA1HCRTR1MEN1KMT2A
SCHEMBL15501301 0.88 MEN1 (0.47) ADORA2AADORA1HCRTR1MEN1KMT2A
SCHEMBL20991415 0.88 MEN1 (0.44) ADORA2AADORA1HCRTR1MEN1KMT2A

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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