SCHEMBL30006731

SCHEMBL30006731

O=C1CCc2c(Br)cc(F)cc21

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
LOX P28300 1/20 0.33
KDM4E B2RXH2 2/20 0.33
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
ADRA1A P35348 1/20 0.31
HSD17B1 P14061 1/20 0.30
PARP10 Q53GL7 2/20 0.30
PARP11 Q9NR21 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
PARP1 P09874 1/20 0.30

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
SCHEMBL8365489 1.00 MAOA (0.33) MAOAMAOBLOXKDM4EADRA2A
SCHEMBL28937922 0.89 ALDH1A1 (0.36) MAOAMAOBKDM4EHSD17B1ALDH1A1
SCHEMBL4291926 0.89 PARP1 (0.33) MAOAMAOBKDM4EALDH1A1PARP1
SCHEMBL30083746 0.89 ALDH1A1 (0.36) MAOAMAOBKDM4EHSD17B1ALDH1A1
SCHEMBL1225571 0.79 MAOA (0.50) MAOAMAOBLOXKDM4EHSD17B1
SCHEMBL30070543 0.79 MAOA (0.50) MAOAMAOBLOXKDM4EHSD17B1
Methane SCHEMBL6936064 0.78 MAOA (0.49) MAOAMAOBLOXKDM4EHSD17B1
SCHEMBL15287047 0.76 MEN1 (0.41) KDM4EPARP10PARP11PARP1
SCHEMBL8366049 0.76 KDM4E (0.33) MAOAMAOBLOXKDM4EHSD17B1
SCHEMBL29673147 0.76 NOTUM (0.48) MAOAMAOBLOXKDM4EHSD17B1

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-118684628-B Substituted indanyl imidazole compound, preparation method and application thereof 中国人民解放军军事科学院军事医学研究院 2025-06-17 CN disclosed
WO-2025038395-A1 BENZOPYRIDINONES AND BENZOPYRIMIDINONES AS PI3K INHIBITORS ONKURE, INC. (US) 2025-02-20 WO disclosed
CN-118684628-A Substituted indanyl imidazole compound, preparation method and application thereof 中国人民解放军军事科学院军事医学研究院 2024-09-24 CN disclosed
CN-115611877-A Sulfonamide compound, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2023-01-17 CN disclosed
EP-4090660-A1 QUINOXALINE DERIVATIVES Grünenthal GmbH (DE) 2022-11-23 EP disclosed