SCHEMBL29827450

SCHEMBL29827450

O=C1c2ccccc2-c2ccnc3cccc1c23

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 3/20 0.55
CYP3A4 P08684 2/20 0.55
CASP1 P29466 2/20 0.55
CASP7 P55210 2/20 0.55
DNMT1 P26358 1/20 0.55
MAPT P10636 7/20 0.54
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
APEX1 P27695 2/20 0.54
MAOA P21397 3/20 0.53
NPC1 O15118 6/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
RAB9A P51151 5/20 0.47
TP53 P04637 2/20 0.47
PTK2B Q14289 2/20 0.47
ESR1 P03372 1/20 0.47
KDM4E B2RXH2 3/20 0.46
MAOB P27338 1/20 0.46
CDC25B P30305 1/20 0.44
PTPRC P08575 3/20 0.43

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
SCHEMBL458586 1.00 PABPC1 (0.55) PABPC1CYP3A4CASP1CASP7DNMT1
SCHEMBL732391 0.88 ALDH1A1 (0.44) PABPC1CYP3A4CASP1CASP7DNMT1
SCHEMBL28357765 0.77 TYMS (0.52) MAPTMEN1KMT2AAPEX1MAOA
SCHEMBL22798938 0.76 NPC1 (0.38) MAPTMEN1KMT2AMAOANPC1
SCHEMBL23496967 0.76 MAPT (0.43) PABPC1CYP3A4MAPTMEN1KMT2A
SCHEMBL17228822 0.76 MAOA (0.42) MAOASMN1; SMN2KDM4EMAOBCDC25B
SCHEMBL29029657 0.76 PARP1 (0.53) CYP3A4CASP1CASP7MAPTMEN1
SCHEMBL13854898 0.76 ALDH1A1 (0.57) CASP1CASP7MAPTMEN1KMT2A
SCHEMBL28057086 0.74 NPC1 (0.59) DNMT1MAPTNPC1SMN1; SMN2RAB9A
SCHEMBL460367 0.73 MAOA (0.56) PABPC1CYP3A4CASP1CASP7DNMT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114761431-B Neonatal Fc receptor binding AFFIMER 株式会社LG化学 2025-04-25 CN disclosed
CN-119868317-A Method for penetrating blood brain barrier 南加州大学 2025-04-25 CN disclosed
CN-111936125-B Method for penetrating blood brain barrier 南加州大学 2025-03-04 CN disclosed
CN-114599662-A Neomycin-based compounds and pharmaceutical uses thereof 蔚蓝海岸大学 2022-06-07 CN disclosed