SCHEMBL30388779

SCHEMBL30388779

COc1ccc(COc2cc(Br)cnc2Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
LRRK2 Q5S007 1/20 0.48
MAOB P27338 2/20 0.46
ABCB1 P08183 2/20 0.45
NTRK1 P04629 1/20 0.44
CSF1R P07333 1/20 0.44
NTRK3 Q16288 1/20 0.44
NTRK2 Q16620 1/20 0.44
CCR5 P51681 5/20 0.44
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
APP P05067 5/20 0.43
PDE1B Q01064 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
SCHEMBL28988132 1.00 NPC1 (0.49) NPC1RAB9ALRRK2MAOBABCB1
SCHEMBL2492632 0.82 GCK (0.49) RAB9ALRRK2MAOBABCB1CCR5
SCHEMBL30523230 0.82 GCK (0.49) RAB9ALRRK2MAOBABCB1CCR5
SCHEMBL25385270 0.82 CCR5 (0.46) NPC1RAB9ALRRK2MAOBABCB1
SCHEMBL30574868 0.82 CCR5 (0.46) NPC1RAB9ALRRK2MAOBABCB1
SCHEMBL21327606 0.81 CSF1R (0.50) NPC1RAB9ALRRK2MAOBNTRK1
SCHEMBL22925751 0.80 MAOB (0.44) NPC1RAB9ALRRK2MAOBNTRK1
SCHEMBL29620899 0.80 MAOB (0.44) NPC1RAB9ALRRK2MAOBNTRK1
SCHEMBL25383687 0.80 NPC1 (0.48) NPC1RAB9ALRRK2MAOBNTRK1
SCHEMBL190649 0.79 MAOB (0.51) NPC1RAB9ALRRK2MAOBCCR5

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115989224-B Plasma kallikrein inhibitors 默沙东有限责任公司 2025-02-25 CN disclosed
EP-4499630-A1 BCL-XL INHIBITORS BeiGene, Ltd. (KY) 2025-02-05 EP disclosed
CN-118974033-A Bcl-xL inhibitors 百济神州有限公司 2024-11-15 CN disclosed
WO-2023185986-A1 BCL-XL INHIBITORS BEIGENE , LTD. (KY) 2023-10-05 WO disclosed
CN-115989224-A Plasma kallikrein inhibitors 默沙东有限责任公司 2023-04-18 CN disclosed