SCHEMBL31727317

SCHEMBL31727317

O=[N+]([O-])c1ncc(Br)cc1N1CCC[C@@H]1CO

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CUL4A Q13619 1/20 0.45
▸ CHRNB4 P30926 1/20 0.38
▸ CHRNA3 P32297 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.36
▸ ADORA3 P0DMS8 1/20 0.35
▸ ADORA2A P29274 1/20 0.35
▸ ADORA1 P30542 1/20 0.35
▸ ADK P55263 1/20 0.35
▸ MKNK1 Q9BUB5 1/20 0.34
▸ MKNK2 Q9HBH9 1/20 0.34
▸ CHRNB2 P17787 1/20 0.34
▸ CHRNA4 P43681 1/20 0.34
▸ TYMP P19971 1/20 0.34
▸ CDK1 P06493 2/20 0.33
▸ AOC3 Q16853 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ IRAK4 Q9NWZ3 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
SCHEMBL31728093 0.82 CHRNB4 (0.41) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL17111542 0.81 CUL4A (0.50) CUL4ACHRNB4CHRNA3HDAC6ADORA3
SCHEMBL17111487 0.81 CUL4A (0.50) CUL4ACHRNB4CHRNA3HDAC6ADORA3
SCHEMBL31128243 0.79 MKNK1 (0.40) HDAC6ADORA3ADORA2AADORA1MKNK1
SCHEMBL31727985 0.76 PDE10A (0.38) IRAK4
SCHEMBL31727516 0.75 PDE10A (0.32) SMN1; SMN2
SCHEMBL31727796 0.74 MAPT (0.46) SMN1; SMN2
SCHEMBL31727712 0.74 MAPT (0.42) SMN1; SMN2
SCHEMBL31727353 0.74 MAPT (0.44) —
SCHEMBL21835451 0.72 ALDH1A1 (0.33) SMN1; SMN2

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
WO-2025231561-A1 TERTIARY AMINE-SUBSTITUTED BIPYRIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND THEIR USE AS PHARMACEUTICALS UNIVERSITE DE MONTREAL (CA) 2025-11-13 — — WO disclosed
Send feedback