SCHEMBL28958013

SCHEMBL28958013

O=[N+]([O-])c1ccc(N2CCC(C3OCCO3)C2)cn1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 7/20 0.63
▸ CHRNA4 P43681 7/20 0.63
▸ CHRNB4 P30926 7/20 0.63
▸ CHRNA3 P32297 7/20 0.63
▸ POLB P06746 1/20 0.60
▸ MAPT P10636 6/20 0.56
▸ RAB9A P51151 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ GPR119 Q8TDV5 1/20 0.34

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
SCHEMBL30160982 1.00 CHRNB2 (0.63) CHRNB2CHRNA4CHRNB4CHRNA3POLB
SCHEMBL25192964 0.94 POLB (0.65) CHRNB2CHRNA4CHRNB4CHRNA3POLB
SCHEMBL30416216 0.94 POLB (0.65) CHRNB2CHRNA4CHRNB4CHRNA3POLB
SCHEMBL25845597 0.79 MAPT (0.74) CHRNB2CHRNA4CHRNB4CHRNA3POLB
SCHEMBL4875099 0.78 CHRNB2 (0.63) CHRNB2CHRNA4CHRNB4CHRNA3POLB
SCHEMBL25374924 0.78 CHRNB2 (0.63) CHRNB2CHRNA4CHRNB4CHRNA3POLB
SCHEMBL23092548 0.78 MAPT (0.67) CHRNB2CHRNA4CHRNB4CHRNA3POLB
SCHEMBL2793032 0.78 CHRNB2 (0.63) CHRNB2CHRNA4CHRNB4CHRNA3POLB
SCHEMBL25372739 0.78 CHRNB2 (0.63) CHRNB2CHRNA4CHRNB4CHRNA3POLB
SCHEMBL12182170 0.78 CHRNB2 (0.63) CHRNB2CHRNA4CHRNB4CHRNA3POLB

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-115557933-A Bruton tyrosine kinase and mutant degradation agent, composition and application thereof 杭州和正医药有限公司 2023-01-03 — — CN disclosed
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