SCHEMBL31013243

SCHEMBL31013243

CC(C)(C)[Si](C)(C)CCCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SIGMAR1 Q99720 4/20 0.42
MAOA P21397 1/20 0.42
CHRM2 P08172 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
CHRM1 P11229 1/20 0.41
DRD1 P21728 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
ADRA1A P35348 1/20 0.41
OPRM1 P35372 1/20 0.41
DRD3 P35462 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KCNH2 Q12809 1/20 0.41
AOC3 Q16853 1/20 0.41
MAOB P27338 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
SCHEMBL31013244 1.00 POLB (0.46) POLBL3MBTL1MEN1KMT2ASIGMAR1
SCHEMBL16216219 0.79 L3MBTL1 (0.48) L3MBTL1MEN1KMT2ASIGMAR1MAOA
SCHEMBL25490886 0.77 POLB (0.44) POLBL3MBTL1MEN1KMT2ASIGMAR1
SCHEMBL3342170 0.76 IDO1 (0.44) L3MBTL1MEN1KMT2ASIGMAR1MAOA
SCHEMBL4494440 0.75 ADRA1A (0.47) POLBL3MBTL1MEN1KMT2ASIGMAR1
SCHEMBL524107 0.75 L3MBTL1 (0.45) L3MBTL1MEN1KMT2ASIGMAR1MAOA
SCHEMBL4494444 0.75 HDAC3 (0.47) POLBL3MBTL1MEN1KMT2ASIGMAR1
SCHEMBL523288 0.75 L3MBTL1 (0.45) L3MBTL1MEN1KMT2ASIGMAR1MAOA
SCHEMBL988413 0.74 SLC6A2 (0.43) SLC6A2
SCHEMBL14838178 0.73 CHRM2 (0.47) L3MBTL1MEN1KMT2ASIGMAR1MAOA

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-113214447-B Polybenzoxazine based on pyridyl and preparation method and application thereof 南京先进生物材料与过程装备研究院有限公司 2024-08-16 CN disclosed