SCHEMBL28898751

SCHEMBL28898751

O=[N+]([O-])c1ccc(N2CCCc3ccccc32)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
EED O75530 1/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
GAA P10253 2/20 0.52
LMNA P02545 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
USP2 O75604 1/20 0.52
ALDH1A1 P00352 1/20 0.52
POLB P06746 1/20 0.52
HTT P42858 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
PDE4B Q07343 1/20 0.50
PDE4D Q08499 1/20 0.50
MAPK1 P28482 1/20 0.49
TP53 P04637 1/20 0.49
ATM Q13315 1/20 0.47
SIRT6 Q8N6T7 1/20 0.45
MITF O75030 1/20 0.44

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
SCHEMBL20956996 0.91 MEN1 (0.60) MAPTSMN1; SMN2MEN1KMT2AGAA
SCHEMBL15712181 0.83 MAPT (0.45) MAPTSMN1; SMN2EEDMEN1KMT2A
SCHEMBL25184947 0.83 ROCK1 (0.48) MAPTSMN1; SMN2EEDMEN1KMT2A
SCHEMBL30317408 0.83 ROCK1 (0.48) MAPTSMN1; SMN2EEDMEN1KMT2A
SCHEMBL257551 0.82 MAPT (0.47) MAPTSMN1; SMN2EEDMEN1KMT2A
SCHEMBL31038200 0.81 MAPT (0.43) MAPTSMN1; SMN2EEDMEN1KMT2A
SCHEMBL28455024 0.81 TP53 (0.53) MAPTEEDMEN1KMT2ALMNA
SCHEMBL7604954 0.80 MAPT (0.45) MAPTSMN1; SMN2EEDMEN1KMT2A
SCHEMBL28400556 0.79 ROCK1 (0.48) MAPTSMN1; SMN2EEDMEN1KMT2A
SCHEMBL29478502 0.79 ROCK1 (0.51) MAPTSMN1; SMN2MEN1KMT2ALMNA

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
CN-111732516-B A kind ofNProcess for preparing (E) -aryl-substituted heterocyclic compounds 南昌大学 2021-01-05 CN disclosed
CN-111732516-A A kind ofNProcess for preparing (E) -aryl-substituted heterocyclic compounds 南昌大学 2020-10-02 CN disclosed