SCHEMBL31332748

SCHEMBL31332748

N#CCOC(CO)c1cccc(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.42
IDO1 P14902 2/20 0.38
ACP3 P15309 1/20 0.36
GAA P10253 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CTSB P07858 1/20 0.35
TDO2 P48775 1/20 0.35
NOS2 P35228 2/20 0.34
CYP2D6 P10635 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 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
SCHEMBL31332868 0.86 CHRNB2 (0.46) AOC3IDO1GAATDO2NOS2
SCHEMBL31332614 0.79 AOC3 (0.36) AOC3IDO1ACP3GAAMEN1
SCHEMBL4755369 0.77 AOC3 (0.41) AOC3IDO1MEN1KMT2ACTSB
SCHEMBL31332622 0.76 AOC3 (0.37) AOC3IDO1GAASLC6A2SLC6A4
SCHEMBL24615882 0.75 AOC3 (0.64) AOC3IDO1ACP3MEN1KMT2A
SCHEMBL3341361 0.75 IDO1 (0.41) AOC3IDO1TDO2CYP2D6SLC6A2
SCHEMBL31332660 0.74 EPHX2 (0.48) KMT2A
SCHEMBL31332703 0.73 MAPT (0.39) AOC3KMT2ACTSB
SCHEMBL31332819 0.71 MEN1 (0.43) AOC3ACP3GAAMEN1KMT2A
SCHEMBL7465459 0.71 MEN1 (0.47) AOC3IDO1ACP3MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4709708-A1 NOVEL CARBOXAMIDE DERIVATIVES ANGELINI PHARMA S.P.A. (IT) 2026-03-18 EP disclosed
WO-2024233603-A1 NOVEL CARBOXAMIDE DERIVATIVES ICAGEN, LLC (US) 2024-11-14 WO disclosed