SCHEMBL31361652

SCHEMBL31361652

O=[N+]([O-])c1cnn(C[C@@H]2CN(C3CC3)CCO2)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 2/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CCR2 P41597 1/20 0.36
KCNH2 Q12809 1/20 0.36
IRAK4 Q9NWZ3 2/20 0.35
LMNA P02545 3/20 0.34
HRH3 Q9Y5N1 3/20 0.34
GAA P10253 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
GABRA1 P14867 1/20 0.33
GABRB2 P47870 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
SCHEMBL31361681 0.83 ALDH1A1 (0.42) ALDH1A1L3MBTL1POLBMAPTMEN1
SCHEMBL31361712 0.81 DRD4 (0.41) ALDH1A1L3MBTL1POLBMAPTMEN1
SCHEMBL31361626 0.80 IRAK4 (0.38) CCR2KCNH2IRAK4HRH3
SCHEMBL27028588 0.80 L3MBTL1 (0.45) ALDH1A1L3MBTL1POLBMAPTMEN1
SCHEMBL672209 0.78 ALDH1A1 (0.44) ALDH1A1L3MBTL1POLBMAPTMEN1
SCHEMBL19287359 0.78 ALDH1A1 (0.40) ALDH1A1L3MBTL1POLBMAPTMEN1
SCHEMBL16652728 0.75 MAPT (0.42) ALDH1A1L3MBTL1POLBMAPTMEN1
SCHEMBL31361640 0.75 MAPT (0.42) ALDH1A1L3MBTL1POLBMAPTMEN1
SCHEMBL31361644 0.75 MAPT (0.42) ALDH1A1L3MBTL1POLBMAPTMEN1
SCHEMBL16652730 0.75 MAPT (0.42) ALDH1A1L3MBTL1POLBMAPTMEN1

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-2025017116-A1 PHARMACEUTICAL COMPOUNDS HAVING ACTIVITY AS WEE1 INHIBITORS SENTINEL ONCOLOGY LIMITED (GB) 2025-01-23 WO disclosed