SCHEMBL31434232

SCHEMBL31434232

N#Cc1cc(Br)ccc1CO

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.40
MAOA P21397 2/20 0.40
MPO P05164 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
SNCA P37840 1/20 0.36
SLC1A5 Q15758 1/20 0.35
CSNK2A1 P68400 1/20 0.34
DRD4 P21917 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
GAA P10253 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
AAK1 Q2M2I8 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
SCHEMBL16955085 0.84 NOS3 (0.46) MAOBMAOAPTGDR2NOS3NOS1
SCHEMBL30683036 0.84 NOS3 (0.46) MAOBMAOAPTGDR2NOS3NOS1
SCHEMBL365958 0.82 MPO (0.40) MAOBMAOAMPONOS3NOS1
SCHEMBL29529036 0.82 MPO (0.40) MAOBMAOAMPONOS3NOS1
SCHEMBL25447720 0.80 MPO (0.42) MAOBMAOAMPONOS3NOS1
SCHEMBL3273772 0.80 MPO (0.39) MAOBMAOAMPONOS3NOS1
SCHEMBL17289808 0.80 MPO (0.39) MAOBMAOAMPONOS3NOS1
SCHEMBL17157309 0.80 CSNK2A1 (0.49) MAOBMAOAMPONOS3NOS1
SCHEMBL27526851 0.78 MPO (0.39) MAOBMAOAMPONOS3NOS1
SCHEMBL22229451 0.78 RXRA (0.38) MPOPTGDR2SMN1; SMN2GAA

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-2025056068-A1 BICYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF 上海济煜医药科技有限公司 2025-03-20 WO disclosed