SCHEMBL29473232

SCHEMBL29473232

O=C(Nc1cc(Br)ccc1OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 9/20 0.54
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
LMNA P02545 2/20 0.52
USP2 O75604 1/20 0.52
HTT P42858 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
NPSR1 Q6W5P4 1/20 0.51
AAK1 Q2M2I8 2/20 0.51
BRD4 O60885 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
KMT2A Q03164 1/20 0.49
USP28 Q96RU2 1/20 0.49
USP25 Q9UHP3 1/20 0.49

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
SCHEMBL29473230 1.00 LRRK2 (0.54) LRRK2NPC1RAB9ALMNAUSP2
SCHEMBL29473245 0.84 NPC1 (0.56) NPC1RAB9ALMNAHTTL3MBTL1
SCHEMBL8247251 0.83 NPC1 (0.55) NPC1RAB9ALMNAHTTL3MBTL1
SCHEMBL29473195 0.82 NPC1 (0.51) NPC1RAB9AL3MBTL1AAK1BRD4
SCHEMBL5783658 0.81 HTT (0.59) NPC1RAB9ALMNAHTTL3MBTL1
SCHEMBL6584410 0.80 LMNA (0.48) LRRK2LMNAUSP2HTTL3MBTL1
SCHEMBL6584406 0.80 LMNA (0.48) LRRK2LMNAUSP2HTTL3MBTL1
SCHEMBL14648942 0.80 NPC1 (0.70) NPC1RAB9ALMNAHTTL3MBTL1
SCHEMBL16609975 0.79 HTT (0.54) NPC1RAB9ALMNAHTTL3MBTL1
SCHEMBL14648946 0.79 HTT (0.57) NPC1RAB9ALMNAHTTL3MBTL1

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
EP-4229062-A1 BICYCLIC COMPOUNDS Aligos Therapeutics, Inc. (US) 2023-08-23 EP disclosed
WO-2022081758-A1 BICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. (US) 2022-04-21 WO disclosed