SCHEMBL28840600

SCHEMBL28840600

O=C(C1CCCCC1)N(Cc1ccccc1[N+](=O)[O-])C1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
KMT2A Q03164 4/20 0.50
MEN1 O00255 2/20 0.50
KDM4E B2RXH2 1/20 0.50
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
OPRM1 P35372 1/20 0.45
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.41

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
SCHEMBL1053908 0.87 ALDH1A1 (0.58) ALDH1A1KMT2AMEN1KDM4EL3MBTL1
SCHEMBL3705822 0.82 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1KDM4EL3MBTL1
SCHEMBL29874435 0.78 KDM4E (0.57) ALDH1A1KMT2AMEN1KDM4EL3MBTL1
SCHEMBL8895608 0.78 KDM4E (0.57) ALDH1A1KMT2AMEN1KDM4EL3MBTL1
Hydrochloric Acid SCHEMBL8816016 0.76 KDM4E (0.56) ALDH1A1KMT2AMEN1KDM4EL3MBTL1
SCHEMBL1427866 0.76 ALDH1A1 (0.48) ALDH1A1KMT2AMEN1KDM4ESLC6A2
SCHEMBL2310221 0.75 MGLL (0.47) ALDH1A1KMT2AMEN1KDM4EHTT
SCHEMBL567201 0.73 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1KDM4EL3MBTL1
SCHEMBL16226094 0.73 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1KDM4EL3MBTL1
SCHEMBL7746053 0.72 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1KDM4EL3MBTL1

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
CN-108732831-B Resin composition, substrate and element comprising same, and method for producing same JSR株式会社 2022-08-16 CN disclosed