SCHEMBL30892876

SCHEMBL30892876

Brc1ccc(SC2CCCCC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.58
MAOB P27338 4/20 0.58
PTGIR P43119 1/20 0.44
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
VCP P55072 3/20 0.38
RAB9A P51151 4/20 0.36
NPC1 O15118 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.36
MEN1 O00255 1/20 0.36
EPHX1 P07099 1/20 0.36
AR P10275 1/20 0.36
CYP2A6 P11509 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
CYP1A2 P05177 1/20 0.33

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
SCHEMBL5429182 0.98 MAOA (0.55) MAOAMAOBPTGIRMAPK1HTT
SCHEMBL13609520 0.93 MAOA (0.50) MAOAMAOBPTGIRMAPK1HTT
SCHEMBL1745003 0.89 MAOB (0.44) MAOAMAOBPTGIRMAPK1SMN1; SMN2
SCHEMBL23295277 0.86 MAOA (0.65) MAOAMAOBPTGIRMAPK1SMN1; SMN2
SCHEMBL5215573 0.79 MAOA (0.42) MAOAMAOBPTGIRSMN1; SMN2KMT2A
SCHEMBL1939589 0.79 MAOA (0.44) MAOAMAOBHTTRAB9ANPC1
SCHEMBL30939414 0.79 MAOB (0.44) MAOAMAOBMAPK1SMN1; SMN2CYP2A6
SCHEMBL23639396 0.78 MAOA (0.58) MAOAMAOBPTGIRRAB9ANPC1
SCHEMBL12218337 0.78 MAOA (0.58) MAOAMAOBPTGIRMAPK1HTT
SCHEMBL11557522 0.78 MAOA (0.58) MAOAMAOBPTGIRRAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117897484-A Antisense oligonucleotides and their use for treating neurodegenerative disorders 卫材R&D管理有限公司 2024-04-16 CN disclosed