SCHEMBL22130408

SCHEMBL22130408

Brc1cc(-c2ccncc2)cc(-c2nc(-c3ccccc3)nc(-c3ccc4oc5ccccc5c4c3)n2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.43
▸ SMN1; SMN2 Q16637 5/20 0.43
▸ RAB9A P51151 4/20 0.43
▸ MAPT P10636 4/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 1/20 0.43
▸ PLA2G2A P14555 2/20 0.37
▸ PLA2G4A P47712 2/20 0.37
▸ MAPK14 Q16539 2/20 0.37
▸ KDM4E B2RXH2 3/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ HPGD P15428 3/20 0.36
▸ LMNA P02545 1/20 0.36
▸ DYRK1A Q13627 1/20 0.36
▸ CHEK2 O96017 1/20 0.36
▸ MKNK1 Q9BUB5 1/20 0.36
▸ PLA2G10 O15496 1/20 0.36
▸ NOTUM Q6P988 1/20 0.36

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
SCHEMBL22136560 1.00 NPC1 (0.43) NPC1SMN1; SMN2RAB9AMAPTHSD17B10
SCHEMBL22136861 0.94 SMN1; SMN2 (0.44) NPC1SMN1; SMN2RAB9AMAPTHSD17B10
SCHEMBL22136891 0.94 SMN1; SMN2 (0.44) NPC1SMN1; SMN2RAB9AMAPTHSD17B10
SCHEMBL22130417 0.93 SMN1; SMN2 (0.43) NPC1SMN1; SMN2RAB9AMAPTHSD17B10
SCHEMBL22136598 0.93 SMN1; SMN2 (0.43) NPC1SMN1; SMN2RAB9AMAPTHSD17B10
SCHEMBL19165225 0.93 SMN1; SMN2 (0.43) NPC1SMN1; SMN2RAB9AMAPTHSD17B10
SCHEMBL22130419 0.92 MAPT (0.40) NPC1SMN1; SMN2RAB9AMAPTHSD17B10
SCHEMBL22136434 0.92 MAPT (0.40) NPC1SMN1; SMN2RAB9AMAPTHSD17B10
SCHEMBL19165883 0.91 PLA2G2A (0.43) NPC1SMN1; SMN2RAB9AMAPTHSD17B10
SCHEMBL22136664 0.91 PLA2G2A (0.42) NPC1SMN1; SMN2RAB9AMAPTPLA2G2A

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